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 = 'BDBM50329852'   

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))	BDBM50329852 (2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...) Show SMILES OC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of Pin1 by PIn1 PPIase assay				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50329852 (2-phenyl-1H-imidazole-4,5-dicarboxylic acid | CHEM...) Show SMILES OC(=O)c1nc([nH]c1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C11H8N2O4/c14-10(15)7-8(11(16)17)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)(H,14,15)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to Pin1 by isothermal calorimetry				Bioorg Med Chem Lett 20: 6483-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.063 BindingDB Entry DOI: 10.7270/Q2SB4606
					More data for this Ligand-Target Pair				3D Structure (crystal)