Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' and Ligand = 'BDBM50461090'   

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))	BDBM50461090 (CHEMBL4226619) Show SMILES [O-][N+](=O)c1cnc(OCCc2ccccc2)nc1Cl Show InChI InChI=1S/C12H10ClN3O3/c13-11-10(16(17)18)8-14-12(15-11)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2	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	7.27E+3	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
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