ChEMBL ligand: CHEMBL418971
Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] There should be some charts here, you may need to enable JavaScript!
Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530] There should be some charts here, you may need to enable JavaScript!
casein kinase 1 epsilon/Casein kinase I epsilon in Human [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674] There should be some charts here, you may need to enable JavaScript!
cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] There should be some charts here, you may need to enable JavaScript!
DAT/Dopamine transporter in Human [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] 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 3/Dual specificity protein kinase CLK3 in Human [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761] 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!
dual specificity tyrosine phosphorylation regulated kinase 1A/Dual-specificity tyrosine-phosphorylation regulated kinase 1A in Human [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627] There should be some charts here, you may need to enable JavaScript!
dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463] There should be some charts here, you may need to enable JavaScript!
dual specificity tyrosine phosphorylation regulated kinase 2/Dual-specificity tyrosine-phosphorylation regulated kinase 2 in Human [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630] There should be some charts here, you may need to enable JavaScript!
dual specificity tyrosine phosphorylation regulated kinase 3/Dual-specificity tyrosine-phosphorylation regulated kinase 3 in Human [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781] There should be some charts here, you may need to enable JavaScript!
dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20] There should be some charts here, you may need to enable JavaScript!
CDC like kinase 1/Dual specificty protein kinase CLK1 in Human [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759] There should be some charts here, you may need to enable JavaScript!
Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] There should be some charts here, you may need to enable JavaScript!
Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] There should be some charts here, you may need to enable JavaScript!
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508] There should be some charts here, you may need to enable JavaScript!
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] There should be some charts here, you may need to enable JavaScript!
NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] There should be some charts here, you may need to enable JavaScript!
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449] There should be some charts here, you may need to enable JavaScript!
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191] There should be some charts here, you may need to enable JavaScript!
SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Rat [ChEMBL: CHEMBL3585237] [GtoPdb: 841] [UniProtKB: P11507] There should be some charts here, you may need to enable JavaScript!
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] There should be some charts here, you may need to enable JavaScript!
SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] There should be some charts here, you may need to enable JavaScript!
Cav2.2/Voltage-dependent N-type calcium channel subunit alpha-1B in Mouse [ChEMBL: CHEMBL3637936] [GtoPdb: 533] [UniProtKB: O55017] There should be some charts here, you may need to enable JavaScript!
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Mouse [ChEMBL: CHEMBL2529] [GtoPdb: 529] [UniProtKB: Q01815] 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
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL	Antagonist activity at human pSG5-AR assessed as inhibition of dihydrotestosterone-induced effect by reporter gene assay	B	5.23	pIC50	5900	nM	IC50	Bioorg Med Chem Lett (2013) 23: 4031-4036 [PMID:23768907]
GtoPdb	-	-	5.23	pIC50	5900	nM	IC50	Bioorg Med Chem Lett (2013) 23: 4031-6 [PMID:23768907]
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)	B	4.65	pKi	22531	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)	B	4.13	pIC50	74131.02	nM	IC50	J Med Chem (2005) 48: 5666-5674 [PMID:16134935]
ChEMBL	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)	B	4.47	pIC50	33796	nM	IC50	DrugMatrix in vitro pharmacology data
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL	DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)	B	5.88	pIC50	1304	nM	IC50	DrugMatrix in vitro pharmacology data
casein kinase 1 epsilon/Casein kinase I epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674]
ChEMBL	Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078]
ChEMBL	Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	B	4.82	pKi	15108	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	B	4.72	pIC50	19015	nM	IC50	DrugMatrix in vitro pharmacology data
CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760]
ChEMBL	Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 3/Dual specificity protein kinase CLK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761]
ChEMBL	Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1]
ChEMBL	Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 1A/Dual-specificity tyrosine-phosphorylation regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627]
ChEMBL	Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463]
ChEMBL	Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 2/Dual-specificity tyrosine-phosphorylation regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630]
ChEMBL	Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 3/Dual-specificity tyrosine-phosphorylation regulated kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781]
ChEMBL	Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20]
ChEMBL	Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
CDC like kinase 1/Dual specificty protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759]
ChEMBL	Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL	DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)	B	6.19	pKi	649	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcriptional activity by luciferase reporter gene assay	B	5	pIC50	>10000	nM	IC50	Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL	DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)	B	5.64	pIC50	2271	nM	IC50	DrugMatrix in vitro pharmacology data
ChEMBL	Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method	B	6.04	pIC50	904	nM	IC50	Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL	Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET assay	B	6.3	pIC50	504	nM	IC50	Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL	Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activity by luciferase reporter gene assay	B	5	pEC50	>10000	nM	EC50	Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL	Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay	B	5.77	pEC50	1689	nM	EC50	Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565]
ChEMBL	Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay	B	6.1	pEC50	797	nM	EC50	Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL	Agonist activity at estrogen receptor in human MCF7 cells assessed as ERE-mediated transcriptional activity after 24 hrs by luciferase assay	B	6.54	pEC50	290	nM	EC50	Bioorg Med Chem Lett (2016) 26: 1844-1848 [PMID:26905830]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
ChEMBL	Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method	B	6.06	pIC50	870	nM	IC50	Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
ChEMBL	Agonist activity at human Gal4-ERbeta by reporter gene assay	B	5.96	pEC50	1100	nM	EC50	Bioorg Med Chem Lett (2013) 23: 4031-4036 [PMID:23768907]
GtoPdb	-	-	5.96	pEC50	1100	nM	EC50	Bioorg Med Chem Lett (2013) 23: 4031-6 [PMID:23768907]
ChEMBL	Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay	B	6.12	pEC50	757	nM	EC50	Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182]
Estrogen-related receptor-γ/Estrogen-related receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4245] [GtoPdb: 624] [UniProtKB: P62508]
ChEMBL	Binding affinity to human ERR gamma	B	8.26	pKd	5.5	nM	Kd	Medchemcomm (2013) 4: 764-776
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL	Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis	B	5	pIC50	>10000	nM	IC50	J Med Chem (2023) 66: 4106-4130 [PMID:36876904]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)	B	4.78	pKi	16483	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)	B	4.78	pIC50	16620	nM	IC50	DrugMatrix in vitro pharmacology data
RAR-related orphan receptor-γ/Nuclear receptor ROR-gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741186] [GtoPdb: 600] [UniProtKB: P51449]
ChEMBL	Displacement of 25-[3H]hydroxycholesterol from ROR gamma (unknown origin) by competitive binding assay	B	5	pIC50	>10000	nM	IC50	Medchemcomm (2013) 4: 764-776
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL	Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method	B	5.7	pIC50	2000	nM	IC50	J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3585237] [GtoPdb: 841] [UniProtKB: P11507]
ChEMBL	Inhibition of rat cerebellar microsomes SERCA2b by enzyme-coupled method	B	5.7	pIC50	2000	nM	IC50	J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
ChEMBL	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)	B	5.6	pKi	2516	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)	B	5.27	pIC50	5420	nM	IC50	DrugMatrix in vitro pharmacology data
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL	DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	B	4.97	pKi	10798	nM	Ki	DrugMatrix in vitro pharmacology data
ChEMBL	DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)	B	4.69	pIC50	20325	nM	IC50	DrugMatrix in vitro pharmacology data
Cav2.2/Voltage-dependent N-type calcium channel subunit alpha-1B in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3637936] [GtoPdb: 533] [UniProtKB: O55017]
ChEMBL	Inhibition of Cav1.2 calcium current measured using in mouse dorsal root ganglion neuron	F	4.46	pIC50	35000	nM	IC50	IC50 data for the L-type calcium channel extracted from a set of literature articles
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2529] [GtoPdb: 529] [UniProtKB: Q01815]
ChEMBL	Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in mouse myocyte	F	4.46	pIC50	35000	nM	IC50	IC50 data for the L-type calcium channel extracted from a set of literature articles

ChEMBL data shown on this page come from version 34:

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]