Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50360443'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Androgen receptor (Homo sapiens (Human))	BDBM50360443 (CHEMBL1934443) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Displacement of [17-alpha-methyl-3H]-mibolerone from human androgen receptor expressed in HEK293 derived FreeStyle293F cells after 3 hrs				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360443 (CHEMBL1934443) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in COS7 cells assessed as inhibition of DHT-induced luciferase activity after 24 hrs by repo...				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50360443 (CHEMBL1934443) Show SMILES Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C20H16N4/c1-14-19(11-22)20(18-7-5-16(10-21)6-8-18)15(2)24(14)13-17-4-3-9-23-12-17/h3-9,12H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human androgen receptor expressed in COS7 cells assessed as luciferase activity after 24 hrs by reporter gene assay				Bioorg Med Chem 20: 422-34 (2011) Article DOI: 10.1016/j.bmc.2011.10.067 BindingDB Entry DOI: 10.7270/Q2251JM1
					More data for this Ligand-Target Pair