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SMILES: CCCCc1ccc(Cn2ccc3cc(ccc23)C(\C)=C\C(=O)Nc2ccccc2OCCCC(O)=O)cc1

InChI Key: InChIKey=RRFPFQDXEQURAF-DARPEHSRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470288   
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)		BDBM50470288
PNG
(CHEMBL95952)
Show SMILES CCCCc1ccc(Cn2ccc3cc(ccc23)C(\C)=C\C(=O)Nc2ccccc2OCCCC(O)=O)cc1
Show InChI InChI=1S/C33H36N2O4/c1-3-4-8-25-12-14-26(15-13-25)23-35-19-18-28-22-27(16-17-30(28)35)24(2)21-32(36)34-29-9-5-6-10-31(29)39-20-7-11-33(37)38/h5-6,9-10,12-19,21-22H,3-4,7-8,11,20,23H2,1-2H3,(H,34,36)(H,37,38)/b24-21+
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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