ChEMBL ligand: CHEMBL4098877 (Merck lrrk2 inhibitor-2)
5-HT2B receptor/5-hydroxytryptamine receptor 2B in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] There should be some charts here, you may need to enable JavaScript!
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760] There should be some charts here, you may need to enable JavaScript!
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1] There should be some charts here, you may need to enable JavaScript!
TTK protein kinase/Dual specificity protein kinase TTK in Human [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981] There should be some charts here, you may need to enable JavaScript!
leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Human [ChEMBL: CHEMBL1075104] [GtoPdb: 2059] [UniProtKB: Q5S007] leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Mouse [ChEMBL: CHEMBL2010622] [GtoPdb: 2059] [UniProtKB: Q5S006] There should be some charts here, you may need to enable JavaScript!
mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558] There should be some charts here, you may need to enable JavaScript!
mitogen-activated protein kinase kinase kinase 5/Mitogen-activated protein kinase kinase kinase 5 in Human [ChEMBL: CHEMBL5285] [GtoPdb: 2080] [UniProtKB: Q99683] There should be some charts here, you may need to enable JavaScript!
M2 receptor/Muscarinic acetylcholine receptor M2 in Human [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] There should be some charts here, you may need to enable JavaScript!
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] There should be some charts here, you may need to enable JavaScript!
σ2/Sigma intracellular receptor 2 in Human [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2] There should be some charts here, you may need to enable JavaScript!
NET/Sodium-dependent noradrenaline transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] There should be some charts here, you may need to enable JavaScript!
Sodium/nucleoside cotransporter 2 in Human [ChEMBL: CHEMBL5780] [GtoPdb: 1115] [UniProtKB: O43868] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
5-HT2B receptor/5-hydroxytryptamine receptor 2B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL	Inhibition of Serotonin (5-Hydroxytryptamine) 5-HT2B at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_271700)	B	6.12	pKi	750	nM	Ki	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a HTR2B	B	5.92	pIC50	1200	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of serotonin 5-HT2B (unknown origin)	B	5.92	pIC50	1200	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	Inhibition of Serotonin (5-Hydroxytryptamine) 5-HT2B at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_271700)	B	5.93	pIC50	1170	nM	IC50	Data for DCP probe MLi-2
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
ChEMBL	CLK2 Kinase screen	B	6.22	pIC50	605	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a CLK2	B	6.22	pIC50	605	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of CLK2 (unknown origin)	B	6.22	pIC50	605	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
ChEMBL	CLK4 Kinase screen	B	6.65	pIC50	225	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a CLK4	B	6.65	pIC50	225	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of CLK4 (unknown origin)	B	6.65	pIC50	225	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
TTK protein kinase/Dual specificity protein kinase TTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3983] [GtoPdb: 2264] [UniProtKB: P33981]
ChEMBL	TTK Kinase screen	B	6.03	pIC50	935	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a TTK	B	6.03	pIC50	935	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of TTK (unknown origin)	B	6.03	pIC50	935	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075104] [GtoPdb: 2059] [UniProtKB: Q5S007]
ChEMBL	Displacement of [35S]MLi-A from LRRK2 expressed in Tet-inducible human SHSY5Y cells assessed as inhibition constant by radioligand binding assay	B	8.47	pKi	3.4	nM	Ki	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
GtoPdb	Determined in a biochemical assay at physiologically relevant ATP concentration (5mM) to mimic cellular conditions.	-	8.19	pIC50	6.4	nM	IC50	J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL	Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr in presence of 5 mM ATP by TR-FRET assay	B	8.19	pIC50	6.4	nM	IC50	J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL	5 mM ATP LanthaScreen Assay: a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 ul of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1x assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1.0 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 ul of 800 nM fluorescein labeled LRRKtide peptide substrate and 10 mM ATP solution in 1x assay buffer to all wells. d) After a 35 minute room temperature incubation, 20 ul of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with LanthaScreen settings.	B	8.19	pIC50	6.4	nM	IC50	US-9493440-B2. Compounds inhibiting leucine-rich repeat kinase enzyme activity (2016)
ChEMBL	LRRK2 Biochemical Assay with 5mM ATP	B	8.2	pIC50	6.3	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Inhibition LRRK2 G2019S mutant Ser935 phosphorylation in human SH-SY5Y cells after 90 mins by Western blot analysis	B	8.32	pIC50	4.8	nM	IC50	J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL	Cellular assay monitoring dephosphorylation of pSer935 LRRK2	B	8.46	pIC50	3.5	nM	IC50	Data for DCP probe MLi-2
ChEMBL	LRRK2 Biochemical Assay	B	8.74	pIC50	1.8	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Inhibition of LRRK2 in Tet-inducible human SH-SY5Y cells overexpressing LRRK2 assessed as inhibition of pSer935 LRRK2 by Western blotting analysis	B	8.85	pIC50	1.4	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	Inhibition of GST20-tagged LRRK2 in human SH-SY5Y cells assessed as reduction in pSer935 phosphorylation incubated for 90 mins by MSD assay	B	8.92	pIC50	1.2	nM	IC50	J Med Chem (2022) 65: 16801-16817 [PMID:36475697]
ChEMBL	Inhibition of wildtype full length LRRK2 (unknown origin)	B	9	pIC50	1	nM	IC50	Eur J Med Chem (2022) 242: 114693-114693 [PMID:36049274]
ChEMBL	Km ATP LanthaScreen Assay: a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well black, untreated plate. Control wells contain 400 nl of either DMSO or 400 nl of a known inhibitor in DMSO. b) 10 ul of a 2.5 nM LRRK2(G2019S mutation, GST-LRRK2(amino acids 970-2527)) enzyme solution in 1x assay buffer (50 mM Tris pH 8.5, 10 mM MgCl2, 0.01% Brij-35, 1 mM EGTA, 2 mM DTT, 0.05 mM NaVO4) is added to all wells. c) A 30 minute room temperature incubation is followed by addition of 10 ul of 800 nM fluorescein labeled LRRKtide peptide substrate and 186 uM ATP solution in 1x assay buffer to all wells. d) After a 60 minute room temperature incubation, 20 ul of TR-FRET Dilution Buffer (Invitrogen PV3756B) containing 4 nM Tb-labeled anti-phospho LRRKtide antibody and 20 mM EDTA is added to all wells. e) Plates are incubated at room temperature for 1 hour and read on an Envision multi-mode plate reader with Lantha Screen settings.	B	9	pIC50	1	nM	IC50	US-9493440-B2. Compounds inhibiting leucine-rich repeat kinase enzyme activity (2016)
ChEMBL	Inhibition of full length wild type LRRK2 (unknown origin) by LRRKtide Adapta assay	B	9	pIC50	1	nM	IC50	Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038]
ChEMBL	Inhibition of full-length wild type LRRK2 (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay	B	9	pIC50	1	nM	IC50	ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141]
ChEMBL	Inhibition of human LRRK2 G2019S mutant phosphorylation at S1292 in human HEK293 cells incubated for 2 hrs	B	9.05	pIC50	0.9	nM	IC50	Bioorg Med Chem Lett (2023) 95: 129487-129487 [PMID:37734423]
ChEMBL	Inhibition of phosphorylated human LRRK2 G2019S mutant at S93 in human HEK293 cells incubated for 2 hrs	B	9.05	pIC50	0.9	nM	IC50	Bioorg Med Chem Lett (2023) 95: 129487-129487 [PMID:37734423]
ChEMBL	Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by LanthaScreen assay	B	9.1	pIC50	0.8	nM	IC50	J Med Chem (2020) 63: 11330-11361 [PMID:32352776]
ChEMBL	Affinity Biochemical interaction (LanthaScreen) EUB0000715a LRRK2	B	9.12	pIC50	0.76	nM	IC50	Affinity Biochemical Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of recombinant human GST-tagged LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus using fluorescein-ERM as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by TR-FRET assay	B	9.12	pIC50	0.76	nM	IC50	J Med Chem (2017) 60: 2983-2992 [PMID:28245354]
ChEMBL	Inhibition of GST-tagged truncated human LRRK2 G2019S mutant in presence of ATP	B	9.12	pIC50	0.76	nM	IC50	Eur J Med Chem (2023) 256: 115475-115475 [PMID:37201428]
ChEMBL	Inhibition of GST tagged human LRRK2 G2019S mutant using LRRKtide as substrate in presence of KmATP by Lanthascreen TR-FRET competition binding assay	B	9.12	pIC50	0.76	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	Inhibition of GST20-tagged human LRRK2 G2019S mutant using LRRKtide peptide preincubated for 15 mins followed by substrate addition and measured after 90 mins by TR-FRET assay	B	9.3	pIC50	0.5	nM	IC50	J Med Chem (2022) 65: 16801-16817 [PMID:36475697]
ChEMBL	Inhibition of LRRK2 (unknown origin)	B	9.3	pIC50	0.5	nM	IC50	Bioorg Med Chem Lett (2022) 56: 128482-128482 [PMID:34864194]
ChEMBL	Inhibition of full-length LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate incubated for 1 hr in presence of ATP by TR-FRET based ADAPTA assay	B	9.4	pIC50	0.4	nM	IC50	ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141]
ChEMBL	Inhibition of full length LRRK2 G2019S mutant (unknown origin) by LRRKtide Adapta assay	B	9.4	pIC50	0.4	nM	IC50	Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038]
ChEMBL	Inhibition of LRRK2 G2019S mutant (unknown origin) using LRRKtide as substrate pre-incubated for 15 min and measured after 1 hrs by HTRF assay	B	9.4	pIC50	0.4	nM	IC50	Bioorg Med Chem Lett (2023) 95: 129487-129487 [PMID:37734423]
ChEMBL	Inhibition of LRRK2 G2019S mutant (unknown origin)	B	9.4	pIC50	0.4	nM	IC50	Eur J Med Chem (2022) 242: 114693-114693 [PMID:36049274]
ChEMBL	Inhibition of pcDNA5FRT-TO-GFP fused - LRRK2 G2019S mutant (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA	B	7.52	pEC50	30	nM	EC50	Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038]
ChEMBL	Inhibition of LRRK2 G2019S mutant in HEK293 cells	B	7.52	pEC50	30	nM	EC50	Eur J Med Chem (2022) 242: 114693-114693 [PMID:36049274]
ChEMBL	Inhibition of wild type pcDNA5FRT-TO-GFP fused - LRRK2 (unknown origin) transfected in HEK293 cells incubated for 24 hrs by ELISA	B	7.64	pEC50	23	nM	EC50	Eur J Med Chem (2022) 229: 114080-114080 [PMID:34992038]
ChEMBL	Inhibition of wildtype full length LRRK2 in HEK293 cells	B	7.7	pEC50	20	nM	EC50	Eur J Med Chem (2022) 242: 114693-114693 [PMID:36049274]
ChEMBL	NanoBRET (SGC Frankfurt)	B	8.91	pEC50	1.22	nM	EC50	Data for DCP probe MLi-2
ChEMBL	Affinity On-target Cellular interaction (NanoBRET assay (HEK293T cells)) EUB0000715a LRRK2	B	8.91	pEC50	1.22	nM	EC50	Affinity On-target Cellular Literature for EUbOPEN Chemogenomics Library wave 3
leucine rich repeat kinase 2/Leucine-rich repeat serine/threonine-protein kinase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010622] [GtoPdb: 2059] [UniProtKB: Q5S006]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse plasma assessed as inhibition in pSer935 LRRK2 at unbound plasma concentration administered for 14 weeks by Western blotting analysis	F	8.07	pIC50	8.48	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse plasma assessed as inhibition in pSer935 LRRK2 at unbound plasma concentration administered for 20 weeks by Western blotting analysis	F	8.12	pIC50	7.64	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse brain assessed as inhibition in pSer935 LRRK2 at unbound brain concentration administered for 20 weeks by Western blotting analysis	F	8.13	pIC50	7.36	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse brain assessed as inhibition in pSer935 LRRK2 at unbound brain concentration administered for 14 weeks by Western blotting analysis	F	8.19	pIC50	6.48	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse plasma assessed as inhibition in pSer935 LRRK2 at unbound plasma concentration administered for 8 weeks by Western blotting analysis	F	8.26	pIC50	5.51	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in MitoPark mouse brain assessed as inhibition in pSer935 LRRK2 at unbound brain concentration administered for 8 weeks by Western blotting analysis	F	8.3	pIC50	5.04	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in C57Bl/6 mouse plasma assessed as reduction in pSer935 LRRK2 at unbound plasma concentration administered for 11 days by Western blotting analysis	F	8.96	pIC50	1.1	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	In vivo inhibition of LRRK2 in C57Bl/6 mouse brain assessed as reduction in pSer935 LRRK2 at unbound brain concentration administered for 11 days by Western blotting analysis	F	9.1	pIC50	0.8	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
ChEMBL	Inhibition of mouse full-length LRRK2 G2019S mutant transfected in HEK293 cells using LRRKtide as substrate in presence of ATP by incubated for 1 hr TR-FRET based ADAPTA assay	B	7.52	pEC50	30	nM	EC50	ACS Med Chem Lett (2022) 13: 981-988 [PMID:35707141]
mitogen-activated protein kinase kinase kinase 14/Mitogen-activated protein kinase kinase kinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5888] [GtoPdb: 2074] [UniProtKB: Q99558]
ChEMBL	MAP3K14 (NIK) Kinase screen	B	6.61	pIC50	244	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a MAP3K14	B	6.61	pIC50	244	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of MAP3K14 (unknown origin)	B	6.61	pIC50	244	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
mitogen-activated protein kinase kinase kinase 5/Mitogen-activated protein kinase kinase kinase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5285] [GtoPdb: 2080] [UniProtKB: Q99683]
ChEMBL	MAP3K5 (ASK1) Kinase screen	B	6.37	pIC50	428	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (SelectScreen (Invitrogen)) EUB0000715a MAP3K5	B	6.37	pIC50	428	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of MAP3K5 (unknown origin)	B	6.37	pIC50	428	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172]
ChEMBL	Inhibition of Muscarinic M2 at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_252710)	B	5.57	pKi	2700	nM	Ki	Data for DCP probe MLi-2
ChEMBL	Inhibition of Muscarinic M2 at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_252710)	B	5.19	pIC50	6420	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a CHRM2	B	5.19	pIC50	6400	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of muscarinic M2 (unknown origin)	B	5.19	pIC50	6400	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
ChEMBL	PPARgamma Eurofins-Panlabs radioligand binding assay	B	5.92	pKi	1190	nM	Ki	Data for DCP probe MLi-2
ChEMBL	PPARgamma Eurofins-Panlabs radioligand binding assay	B	5.19	pIC50	6520	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a PPARG	B	5.19	pIC50	6500	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of peroxisome proliferator-activated receptors gamma (unknown origin)	B	5.19	pIC50	6500	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
σ2/Sigma intracellular receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105907] [GtoPdb: 2553] [UniProtKB: Q5BJF2]
ChEMBL	GPCRScan assay: inhibition of Sigma 2	B	5.34	pKi	4600.45	nM	Ki	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (GPCR panel (PDSP screen)) EUB0000715a TMEM97	B	5.34	pKi	4600.45	nM	Ki	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	GPCRScan assay: inhibition of Sigma 2	B	5.34	pKi	4570.88	nM	Ki	Data for DCP probe MLi-2
NET/Sodium-dependent noradrenaline transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL	Inhibition of Transporter, Norepinephrine (NET) at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_204410)	B	5.42	pKi	3790	nM	Ki	Data for DCP probe MLi-2
ChEMBL	Inhibition of Transporter, Norepinephrine (NET) at 10 µM in the Eurofins-Panlabs radioligand binding assay (Eurofins_assay_204410)	B	5.42	pIC50	3820	nM	IC50	Data for DCP probe MLi-2
ChEMBL	Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a SLC6A2	B	5.42	pIC50	3800	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3
ChEMBL	Inhibition of norepinephrine transporter (unknown origin)	B	5.42	pIC50	3800	nM	IC50	J Pharmacol Exp Ther (2015) 355: 397-409 [PMID:26407721]
Sodium/nucleoside cotransporter 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5780] [GtoPdb: 1115] [UniProtKB: O43868]
ChEMBL	Selectivity interaction (Enzymatic assay (PanLabs Profiling)) EUB0000715a SLC28A2	B	5.01	pIC50	9700	nM	IC50	Selectivity Literature for EUbOPEN Chemogenomics Library wave 3

ChEMBL data shown on this page come from version 36:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]