Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50197380'   

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))	BDBM50197380 (CHEMBL224414 | N-isopropyl-N-methyl-8-(17b-hydroxy...) Show SMILES CC(C)N(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C31H53NO3/c1-21(2)32(5)28(35)12-10-8-6-7-9-11-22-19-23-20-24(33)15-17-30(23,3)26-16-18-31(4)25(29(22)26)13-14-27(31)34/h21-23,25-27,29,34H,6-20H2,1-5H3/t22?,23-,25-,26-,27-,29-,30-,31-/m0/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	420	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by re...				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50197380 (CHEMBL224414 | N-isopropyl-N-methyl-8-(17b-hydroxy...) Show SMILES CC(C)N(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 Show InChI InChI=1S/C31H53NO3/c1-21(2)32(5)28(35)12-10-8-6-7-9-11-22-19-23-20-24(33)15-17-30(23,3)26-16-18-31(4)25(29(22)26)13-14-27(31)34/h21-23,25-27,29,34H,6-20H2,1-5H3/t22?,23-,25-,26-,27-,29-,30-,31-/m0/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	430	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells				Bioorg Med Chem 15: 174-85 (2006) Article DOI: 10.1016/j.bmc.2006.09.072 BindingDB Entry DOI: 10.7270/Q2PC336P
					More data for this Ligand-Target Pair