BDBM50343858 4-(6-nitro-2-(3-(4-(trifluoromethyl)phenyl)ureido)quinazolin-4-ylamino)benzoic acid::CHEMBL1774792

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

InChI Key: InChIKey=QOJRLDREZRHZPS-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 = 50343858   

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))	BDBM50343858 (4-(6-nitro-2-(3-(4-(trifluoromethyl)phenyl)ureido)...) Show SMILES OC(=O)c1ccc(Nc2nc(NC(=O)Nc3ccc(cc3)C(F)(F)F)nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H15F3N6O5/c24-23(25,26)13-3-7-15(8-4-13)28-22(35)31-21-29-18-10-9-16(32(36)37)11-17(18)19(30-21)27-14-5-1-12(2-6-14)20(33)34/h1-11H,(H,33,34)(H3,27,28,29,30,31,35)	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	5.60E+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