BDBM50017219 CHEMBL1627982

SMILES: [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(Cl)c3CC[C@@]21[H]

InChI Key: InChIKey=XJCUZYBBGHJBJO-AQGAZWNHSA-N

Data: 1 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 1 hit for monomerid = 50017219   

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)	BDBM50017219 (CHEMBL1627982) Show SMILES [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@]1([H])c3ccc(C(O)=O)c(Cl)c3CC[C@@]21[H] Show InChI InChI=1S/C41H49Cl2N9O7/c1-40(2,3)59-39(56)50-34(15-25-18-46-32-8-5-4-7-29(25)32)38(55)52-13-6-9-35(52)37(54)49-33(17-27-19-45-23-48-27)36(53)47-20-28-21-57-41(58-28,22-51-14-12-44-24-51)30-11-10-26(42)16-31(30)43/h4-5,7-8,10-12,14,16,18,24,28,33-35,45-46H,6,9,13,15,17,19-23H2,1-3H3,(H,47,53)(H,49,54)(H,50,56)/t28-,33?,34?,35?,41-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	900	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 Inhibition of Steroid 5-alpha-reductase of rat ventral prostate tissue				J Med Chem 33: 937-42 (1990) BindingDB Entry DOI: 10.7270/Q2F76DR5
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