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SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3cccc(C)c3)ccc2c1

InChI Key: InChIKey=DPSCIBAKDQNHSU-RELWKKBWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470286   
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)		BDBM50470286
PNG
(CHEMBL95707)
Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3cccc(C)c3)ccc2c1
Show InChI InChI=1S/C30H30N2O4/c1-21-7-5-8-23(17-21)20-32-15-14-25-19-24(12-13-27(25)32)22(2)18-29(33)31-26-9-3-4-10-28(26)36-16-6-11-30(34)35/h3-5,7-10,12-15,17-19H,6,11,16,20H2,1-2H3,(H,31,33)(H,34,35)/b22-18+
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/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