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SMILES: OC(=O)[C@H](Cc1ccc(OC[C@@H]2CCCN2c2ccc(cc2)[N+]([O-])=O)cc1)Nc1ccccc1C(=O)c1ccccc1

InChI Key: InChIKey=QEGRZXUKGARHKH-DHIFEGFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50471969   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50471969
PNG
(CHEMBL148664)
Show SMILES OC(=O)[C@H](Cc1ccc(OC[C@@H]2CCCN2c2ccc(cc2)[N+]([O-])=O)cc1)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C33H31N3O6/c37-32(24-7-2-1-3-8-24)29-10-4-5-11-30(29)34-31(33(38)39)21-23-12-18-28(19-13-23)42-22-27-9-6-20-35(27)25-14-16-26(17-15-25)36(40)41/h1-5,7-8,10-19,27,31,34H,6,9,20-22H2,(H,38,39)/t27-,31-/m0/s1
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PC cid
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Article
PubMed
 72n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition by 50% of in vitro binding to Peroxisome proliferator activated receptor gamma

J Med Chem 41: 5037-54 (1998)


Article DOI: 10.1021/jm980413z
BindingDB Entry DOI: 10.7270/Q2J38W9F
More data for this
Ligand-Target Pair