Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50428552'   

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))	BDBM50428552 (CHEMBL2337512) Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyle293F cells				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428552 (CHEMBL2337512) Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Antagonist activity at wild type Androgen receptor (unknown origin) expressed in human Cos-7 cells co-expressing pGL3-MMTV-luc vector assessed as luc...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50428552 (CHEMBL2337512) Show SMILES CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r| Show InChI InChI=1S/C19H19ClN4O2/c1-12-19(26,17-6-4-14(11-23-17)18(25)22-2)7-8-24(12)15-5-3-13(10-21)16(20)9-15/h3-6,9,11-12,26H,7-8H2,1-2H3,(H,22,25)/t12-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at wild type Androgen receptor in human LNCaP-hr cells assessed as prostate specific antigen secrection measured after 3 days by enz...				Bioorg Med Chem 21: 70-83 (2012) Article DOI: 10.1016/j.bmc.2012.11.001 BindingDB Entry DOI: 10.7270/Q2QC04VS
					More data for this Ligand-Target Pair