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 = 'BDBM50461117'   

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))	BDBM50461117 (CHEMBL4229041) Show SMILES OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N Show InChI InChI=1S/C13H7ClN4O4/c14-13-16-6-8(17-10(19)12(20)21)11(18-13)22-9-4-2-1-3-7(9)5-15/h1-4,6H,(H,17,19)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...				Bioorg Med Chem 26: 2186-2197 (2018) Article DOI: 10.1016/j.bmc.2018.03.024 BindingDB Entry DOI: 10.7270/Q2RN3BH0
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (Homo sapiens (Human))	BDBM50461117 (CHEMBL4229041) Show SMILES OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N Show InChI InChI=1S/C13H7ClN4O4/c14-13-16-6-8(17-10(19)12(20)21)11(18-13)22-9-4-2-1-3-7(9)5-15/h1-4,6H,(H,17,19)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Pin1 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmc.2016.09.049 BindingDB Entry DOI: 10.7270/Q2WQ07G3
					More data for this Ligand-Target Pair