BDBM50406357 CHEMBL172595

SMILES: CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC(F)=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O

InChI Key: InChIKey=WQOPICUBAMXBEL-CKBGLNIBSA-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 = 50406357   

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 (Homo sapiens (Human))	BDBM50406357 (CHEMBL172595) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC(F)=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:16| Show InChI InChI=1S/C27H40FNO3/c1-15(2)29(16(3)4)24(30)21-8-7-19-18-14-23(28)22-13-17(25(31)32)9-11-27(22,6)20(18)10-12-26(19,21)5/h13,15-16,18-21H,7-12,14H2,1-6H3,(H,31,32)/t18?,19?,20?,21-,26+,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	32	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
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50406357 (CHEMBL172595) Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC(F)=C4C=C(CC[C@]4(C)C3CC[C@]12C)C(O)=O |c:18,t:16| Show InChI InChI=1S/C27H40FNO3/c1-15(2)29(16(3)4)24(30)21-8-7-19-18-14-23(28)22-13-17(25(31)32)9-11-27(22,6)20(18)10-12-26(19,21)5/h13,15-16,18-21H,7-12,14H2,1-6H3,(H,31,32)/t18?,19?,20?,21-,26+,27-/m1/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	33	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