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SMILES: OC(=O)c1ccc(Nc2nc(NC(=O)NCCc3ccccc3)nc3ccc(cc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=QBDOOJBLSIZUOO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343859   
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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50343859
PNG
(4-(6-Nitro-2-(3-phenethylureido)quinazolin-4-ylami...)
Show SMILES OC(=O)c1ccc(Nc2nc(NC(=O)NCCc3ccccc3)nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H20N6O5/c31-22(32)16-6-8-17(9-7-16)26-21-19-14-18(30(34)35)10-11-20(19)27-23(28-21)29-24(33)25-13-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,31,32)(H3,25,26,27,28,29,33)
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Similars
Article
PubMed
n/an/a 5.25E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 using Suc-Ala-Glu-Pro-Phe-pNA as substrate by spectrophotometry

Bioorg Med Chem 19: 2797-807 (2011)


Article DOI: 10.1016/j.bmc.2011.03.058
BindingDB Entry DOI: 10.7270/Q2SF2WHG
More data for this
Ligand-Target Pair