Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50314701'   

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))	BDBM50314701 ((R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-yno...) Show SMILES OC(=O)[C@@H](CC#Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H16FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,10H2,(H,24,25)(H,26,27)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay				Bioorg Med Chem Lett 20: 2210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.033 BindingDB Entry DOI: 10.7270/Q2GX4BPW
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50314701 ((R)-2-(2-naphthamido)-5-(3-fluorophenyl)pent-4-yno...) Show SMILES OC(=O)[C@@H](CC#Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H16FNO3/c23-19-9-3-5-15(13-19)6-4-10-20(22(26)27)24-21(25)18-12-11-16-7-1-2-8-17(16)14-18/h1-3,5,7-9,11-14,20H,10H2,(H,24,25)(H,26,27)/t20-/m1/s1	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Pin1 by whole cell assay				Bioorg Med Chem Lett 20: 2210-4 (2010) Article DOI: 10.1016/j.bmcl.2010.02.033 BindingDB Entry DOI: 10.7270/Q2GX4BPW
					More data for this Ligand-Target Pair