Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50343856'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50343856 (4-(2-(3-(3,4-Dichlorophenyl)ureido)-6-nitroquinazo...) Show SMILES OC(=O)c1ccc(Nc2nc(NC(=O)Nc3ccc(Cl)c(Cl)c3)nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C22H14Cl2N6O5/c23-16-7-5-13(9-17(16)24)26-22(33)29-21-27-18-8-6-14(30(34)35)10-15(18)19(28-21)25-12-3-1-11(2-4-12)20(31)32/h1-10H,(H,31,32)(H3,25,26,27,28,29,33)	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	2.90E+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