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SMILES: C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=OZCCZZLCHJSNCZ-GDCZLOQASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50031894   
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


(Homo sapiens (Human))		BDBM50031894
PNG
((10R,13S,17S)-17-[1-(4-Chloro-phenyl)-cyclopentylc...)
Show SMILES C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)NC1(CCCC1)c1ccc(Cl)cc1 |c:9,t:7|
Show InChI InChI=1S/C32H40ClNO3/c1-30-17-13-20(29(36)37)19-22(30)7-10-24-25-11-12-27(31(25,2)18-14-26(24)30)28(35)34-32(15-3-4-16-32)21-5-8-23(33)9-6-21/h5-9,19,24-27H,3-4,10-18H2,1-2H3,(H,34,35)(H,36,37)/t24?,25?,26?,27-,30+,31+/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 60n/an/an/an/an/an/a



Glaxo Inc. Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity of the compound

J Med Chem 38: 2621-7 (1995)


BindingDB Entry DOI: 10.7270/Q2C829XC
More data for this
Ligand-Target Pair