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SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=BWKAZIFKEMSGAP-ZNTNEXAZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470263   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2


(Rattus norvegicus)		BDBM50470263
PNG
(CHEMBL99811)
Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C36H31F3N2O4/c1-24(22-33(42)40-30-10-5-6-11-32(30)45-21-7-12-34(43)44)27-15-18-31-28(23-27)19-20-41(31)35(25-8-3-2-4-9-25)26-13-16-29(17-14-26)36(37,38)39/h2-6,8-11,13-20,22-23,35H,7,12,21H2,1H3,(H,40,42)(H,43,44)/b24-22+
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats

J Med Chem 38: 2887-92 (1995)


Article DOI: 10.1021/jm00015a011
BindingDB Entry DOI: 10.7270/Q2B27Z0N
More data for this
Ligand-Target Pair