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SMILES: O[P+](O)([O-])OCCNc1nc(NCc2ccccc2)nc2ccc(cc12)[N+]([O-])=O

InChI Key: InChIKey=XKWBJNNPXYYTAV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343853   
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))		BDBM50343853
PNG
(2-(2-(Benzylamino)-6-nitroquinazolin-4-ylamino)eth...)
Show SMILES O[P+](O)([O-])OCCNc1nc(NCc2ccccc2)nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H18N5O6P/c23-22(24)13-6-7-15-14(10-13)16(18-8-9-28-29(25,26)27)21-17(20-15)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H2,25,26,27)(H2,18,19,20,21)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.65E+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