Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50041766   

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))	BDBM50415086 (ACP-105 | CHEMBL570435) Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11| Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.251	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50415088 (CHEMBL577196) Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5| Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/m1/s1	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	1.58	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	3.16	n/a	n/a	n/a	n/a
ACADIA Pharmaceuticals AB Curated by ChEMBL					Assay Description Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...				J Med Chem 52: 7186-91 (2009) Article DOI: 10.1021/jm901149c BindingDB Entry DOI: 10.7270/Q2SJ1MV9
					More data for this Ligand-Target Pair				3D Structure (crystal)