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SMILES: CC(C)CC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O

InChI Key: InChIKey=INWIJMBQRFVKAJ-DARPEHSRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470283   
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)		BDBM50470283
PNG
(CHEMBL421752)
Show SMILES CC(C)CC(c1ccccc1)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O
Show InChI InChI=1S/C33H36N2O4/c1-23(2)20-30(25-10-5-4-6-11-25)35-18-17-27-22-26(15-16-29(27)35)24(3)21-32(36)34-28-12-7-8-13-31(28)39-19-9-14-33(37)38/h4-8,10-13,15-18,21-23,30H,9,14,19-20H2,1-3H3,(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 6.30n/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