ChEMBL ligand: CHEMBL1324 (RO 40-7592, RO-40-7592, RO-407592, Tasmar, Tolcapone)
ABCB11/Bile salt export pump in Rat [ChEMBL: CHEMBL2073674] [GtoPdb: 778] [UniProtKB: O70127] There should be some charts here, you may need to enable JavaScript!
Catechol-O-methyltransferase/Catechol O-methyltransferase in Human [ChEMBL: CHEMBL2023] [GtoPdb: 2472] [UniProtKB: P21964] Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734] There should be some charts here, you may need to enable JavaScript!
Dengue virus type 2 NS3 protein in Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) [ChEMBL: CHEMBL5980] [UniProtKB: P29990] There should be some charts here, you may need to enable JavaScript!
GPR35/G-protein coupled receptor 35 in Human [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] There should be some charts here, you may need to enable JavaScript!
Krueppel-like factor 10 in Human [ChEMBL: CHEMBL3407312] [UniProtKB: Q13118] There should be some charts here, you may need to enable JavaScript!
transthyretin/Transthyretin in Human [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] 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
ABCB11/Bile salt export pump in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073674] [GtoPdb: 778] [UniProtKB: O70127]
ChEMBL	Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake	B	4.33	pIC50	47200	nM	IC50	Drug Metab Dispos (2012) 40: 130-138 [PMID:21965623]
Catechol-O-methyltransferase/Catechol O-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2023] [GtoPdb: 2472] [UniProtKB: P21964]
GtoPdb	membrane-bound enzyme	-	9.54	pKi	0.29	nM	Ki	Biochemistry (1995) 34: 4202-10 [PMID:7703232]
GtoPdb	soluble enzyme	-	9.57	pKi	0.27	nM	Ki	Biochemistry (1995) 34: 4202-10 [PMID:7703232]
ChEMBL	Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate assay in presence of SAM	B	6.9	pIC50	127	nM	IC50	J Med Chem (2016) 59: 4664-4675 [PMID:27074629]
ChEMBL	Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin)	B	9	pIC50	<1	nM	IC50	J Med Chem (2018) 61: 9647-9665 [PMID:30272964]
ChEMBL	Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay	B	9	pIC50	<1	nM	IC50	ACS Med Chem Lett (2019) 10: 1573-1578 [PMID:32038769]
Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734]
ChEMBL	Inhibitory activity against COMT in rat brain	B	5.66	pIC50	2200	nM	IC50	J Med Chem (2005) 48: 8070-8078 [PMID:16335931]
ChEMBL	Inhibitory activity against COMT in rat liver	B	6.03	pIC50	930	nM	IC50	J Med Chem (2005) 48: 8070-8078 [PMID:16335931]
ChEMBL	Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis	B	7.51	pIC50	30.59	nM	IC50	J Med Chem (2016) 59: 7584-7597 [PMID:27463695]
ChEMBL	Inhibition of rat COMT	B	8.66	pIC50	2.2	nM	IC50	Bioorg Med Chem (2016) 24: 1419-1430 [PMID:26935940]
ChEMBL	Inhibition of Catechol O-methyltransferase activity in rat brain	B	8.66	pIC50	2.2	nM	IC50	J Med Chem (2002) 45: 685-695 [PMID:11806720]
ChEMBL	Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis	B	9.04	pIC50	0.91	nM	IC50	J Med Chem (2016) 59: 7584-7597 [PMID:27463695]
ChEMBL	Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis	B	9.04	pIC50	0.91	nM	IC50	J Med Chem (2016) 59: 7584-7597 [PMID:27463695]
Dengue virus type 2 NS3 protein in Dengue virus type 2 (strain Thailand/16681/1984) (DENV-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5980] [UniProtKB: P29990]
ChEMBL	Inhibition of DENV2 NS2B-NS3 serine protease expressed using Benzoyl-Nle-Lys-Arg-Arg-AMC as substrate measured preincubated for 3 mins followed by substrate addition by fluorescence assay	B	6.19	pIC50	640	nM	IC50	Eur J Med Chem (2019) 176: 431-455 [PMID:31128447]
ChEMBL	Inhibition of NS2B-NS3 protease in DENV2proHeLa system assessed as inhibition of luciferase signal incubated for 24 hrs by luciferase reporter gene assay	B	5.15	pEC50	7100	nM	EC50	J Med Chem (2021) 64: 4567-4587 [PMID:33851839]
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97]
ChEMBL	Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay	B	4.31	pEC50	49200	nM	EC50	Medchemcomm (2012) 3: 1270-1274
ChEMBL	Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis	B	5.13	pEC50	7440	nM	EC50	Medchemcomm (2012) 3: 1270-1274
Krueppel-like factor 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3407312] [UniProtKB: Q13118]
ChEMBL	Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay	B	4.3	pIC50	50000	nM	IC50	J Med Chem (2015) 58: 1466-1478 [PMID:25581017]
ChEMBL	Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in KLF10-mediated transcriptional activity incubated for 24 hrs by luciferase reporter assay	B	4.3	pIC50	50000	nM	IC50	US-20170121318-A1. Use of small molecule inhibitors to klf10 for modulation of t regulatory cells and cancer immunotherapy (null)
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
ChEMBL	Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence method	B	6.01	pKd	980	nM	Kd	J Med Chem (2021) 64: 14344-14357 [PMID:34547896]
ChEMBL	Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetry	B	7.02	pKd	95	nM	Kd	J Med Chem (2021) 64: 14344-14357 [PMID:34547896]
ChEMBL	Binding affinity to transthyretin V122I mutant (unknown origin) by ITC method	B	7.25	pKd	56	nM	Kd	J Med Chem (2018) 61: 7862-7876 [PMID:30133284]
ChEMBL	Binding affinity to transthyretin (unknown origin) by ITC method	B	7.69	pKd	20.6	nM	Kd	J Med Chem (2018) 61: 7862-7876 [PMID:30133284]
ChEMBL	Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 min by absorbance method	B	4.52	pIC50	30000	nM	IC50	J Med Chem (2021) 64: 14344-14357 [PMID:34547896]
ChEMBL	Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance method	B	5.49	pIC50	3200	nM	IC50	J Med Chem (2021) 64: 14344-14357 [PMID:34547896]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]