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SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccc(cc3)C(C)(C)C)ccc2c1

InChI Key: InChIKey=LTUDUTNTTAUNEO-BSYVCWPDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470300   
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)		BDBM50470300
PNG
(CHEMBL99522)
Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccc(cc3)C(C)(C)C)ccc2c1
Show InChI InChI=1S/C33H36N2O4/c1-23(20-31(36)34-28-8-5-6-9-30(28)39-19-7-10-32(37)38)25-13-16-29-26(21-25)17-18-35(29)22-24-11-14-27(15-12-24)33(2,3)4/h5-6,8-9,11-18,20-21H,7,10,19,22H2,1-4H3,(H,34,36)(H,37,38)/b23-20+
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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