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SMILES: C\C(=C/C(=O)Nc1cccc(F)c1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=QCBLQRCWXTUNIO-ZNTNEXAZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470267   
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)		BDBM50470267
PNG
(CHEMBL316858)
Show SMILES C\C(=C/C(=O)Nc1cccc(F)c1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H31FN2O4/c1-24(22-32(39)37-30-15-8-14-29(36)35(30)42-21-9-16-33(40)41)27-17-18-31-28(23-27)19-20-38(31)34(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-15,17-20,22-23,34H,9,16,21H2,1H3,(H,37,39)(H,40,41)/b24-22+
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/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