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 = 'BDBM50314713'   

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))	BDBM50314713 ((R)-3-(2-naphthamido)-4-(3-cyanophenyl)butanoic ac...) Show SMILES OC(=O)C[C@@H](Cc1cccc(c1)C#N)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H18N2O3/c23-14-16-5-3-4-15(10-16)11-20(13-21(25)26)24-22(27)19-9-8-17-6-1-2-7-18(17)12-19/h1-10,12,20H,11,13H2,(H,24,27)(H,25,26)/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	2.30E+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))	BDBM50314713 ((R)-3-(2-naphthamido)-4-(3-cyanophenyl)butanoic ac...) Show SMILES OC(=O)C[C@@H](Cc1cccc(c1)C#N)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H18N2O3/c23-14-16-5-3-4-15(10-16)11-20(13-21(25)26)24-22(27)19-9-8-17-6-1-2-7-18(17)12-19/h1-10,12,20H,11,13H2,(H,24,27)(H,25,26)/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