BDBM50343862 4-(6-Nitro-2-(4-phenoxyphenylamino)quinazolin-4-ylamino)benzoic acid::CHEMBL1774777

SMILES: OC(=O)c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3ccc(cc23)[N+]([O-])=O)cc1

InChI Key: InChIKey=MOPUOJYVWLPGDR-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50343862   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50343862 (4-(6-Nitro-2-(4-phenoxyphenylamino)quinazolin-4-yl...) Show SMILES OC(=O)c1ccc(Nc2nc(Nc3ccc(Oc4ccccc4)cc3)nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C27H19N5O5/c33-26(34)17-6-8-18(9-7-17)28-25-23-16-20(32(35)36)12-15-24(23)30-27(31-25)29-19-10-13-22(14-11-19)37-21-4-2-1-3-5-21/h1-16H,(H,33,34)(H2,28,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.87E+3	n/a	n/a	n/a	n/a	n/a	n/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