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SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(C)cc1)c1ccc(C)cc1

InChI Key: InChIKey=VWTZMKBPAIVNSX-SLEBQGDGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470293   
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)		BDBM50470293
PNG
(CHEMBL329690)
Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(C)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C37H36N2O4/c1-25-10-14-28(15-11-25)37(29-16-12-26(2)13-17-29)39-21-20-31-24-30(18-19-33(31)39)27(3)23-35(40)38-32-7-4-5-8-34(32)43-22-6-9-36(41)42/h4-5,7-8,10-21,23-24,37H,6,9,22H2,1-3H3,(H,38,40)(H,41,42)/b27-23+
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80n/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