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 = 'BDBM50314710'   

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))	BDBM50314710 ((R)-2-(2-naphthamido)-3-m-tolylpropanoic acid | CH...) Show SMILES Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/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	2.80E+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))	BDBM50314710 ((R)-2-(2-naphthamido)-3-m-tolylpropanoic acid | CH...) Show SMILES Cc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C21H19NO3/c1-14-5-4-6-15(11-14)12-19(21(24)25)22-20(23)18-10-9-16-7-2-3-8-17(16)13-18/h2-11,13,19H,12H2,1H3,(H,22,23)(H,24,25)/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