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SMILES: Cc1ccccc1.C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(CC(C)(C)C)ccc2c1

InChI Key: InChIKey=TZIRALALHJLHPK-KNTRCKAVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50470280   
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)		BDBM50470280
PNG
(CHEMBL97093)
Show SMILES Cc1ccccc1.C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(CC(C)(C)C)ccc2c1
Show InChI InChI=1S/C27H32N2O4/c1-19(20-11-12-23-21(17-20)13-14-29(23)18-27(2,3)4)16-25(30)28-22-8-5-6-9-24(22)33-15-7-10-26(31)32/h5-6,8-9,11-14,16-17H,7,10,15,18H2,1-4H3,(H,28,30)(H,31,32)/b19-16+
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/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