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 = 'BDBM50314690'   

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))	BDBM50314690 ((R)-2-(2-naphthamido)-3-(4-cyanophenyl)propanoic a...) Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H16N2O3/c22-13-15-7-5-14(6-8-15)11-19(21(25)26)23-20(24)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19H,11H2,(H,23,24)(H,25,26)/t19-/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	3.00E+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))	BDBM50314690 ((R)-2-(2-naphthamido)-3-(4-cyanophenyl)propanoic a...) Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)C#N)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H16N2O3/c22-13-15-7-5-14(6-8-15)11-19(21(25)26)23-20(24)18-10-9-16-3-1-2-4-17(16)12-18/h1-10,12,19H,11H2,(H,23,24)(H,25,26)/t19-/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