BDBM50406362 CHEMBL170473

SMILES: C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C#N

InChI Key: InChIKey=DWZPHDYKVGFQNC-KDXSSHTGSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50406362   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50406362 (CHEMBL170473) Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C#N |c:9,t:7| Show InChI InChI=1S/C21H27NO2/c1-20-9-7-13(19(23)24)11-14(20)3-5-16-17-6-4-15(12-22)21(17,2)10-8-18(16)20/h3,11,15-18H,4-10H2,1-2H3,(H,23,24)/t15-,16?,17?,18?,20+,21-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Steroid 5-alpha-reductase in rat ventral prostates.				J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50406362 (CHEMBL170473) Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C#N |c:9,t:7| Show InChI InChI=1S/C21H27NO2/c1-20-9-7-13(19(23)24)11-14(20)3-5-16-17-6-4-15(12-22)21(17,2)10-8-18(16)20/h3,11,15-18H,4-10H2,1-2H3,(H,23,24)/t15-,16?,17?,18?,20+,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of Steroid 5-alpha-reductase in human prostatic tissue.				J Med Chem 33: 943-50 (1990) BindingDB Entry DOI: 10.7270/Q25D8QSB
					More data for this Ligand-Target Pair