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 = 'BDBM50305673'   

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))	BDBM50305673 ((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Inhibition of 8His-tagged Pin1 PPIase domain (45-163)				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50305673 ((R)-2-(benzo[b]thiophene-2-carboxamido)-3-(1H-benz...) Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C19H15N3O3S/c23-18(16-9-11-5-1-4-8-15(11)26-16)22-14(19(24)25)10-17-20-12-6-2-3-7-13(12)21-17/h1-9,14H,10H2,(H,20,21)(H,22,23)(H,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Binding affinity to 8His-tagged Pin1 (45-163) PPIase domain by surface plasmon resonance spectroscopy				Bioorg Med Chem Lett 20: 586-90 (2010) Article DOI: 10.1016/j.bmcl.2009.11.090 BindingDB Entry DOI: 10.7270/Q2QJ7HDW
					More data for this Ligand-Target Pair				3D Structure (crystal)