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 = 'BDBM50039709'   

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))	BDBM50039709 (CHEMBL3357850) Show SMILES [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](CCC(=O)N(C)C)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C36H51NO4/c1-33(2)29-15-14-28-27(34(29,3)20-19-30(33)38)18-22-35(4)26(17-21-36(28,35)5)25(13-16-31(39)37(6)7)32(40)41-23-24-11-9-8-10-12-24/h8-12,25-26,29H,13-23H2,1-7H3/t25-,26-,29-,34+,35-,36+/m0/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	830	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay				Bioorg Med Chem Lett 24: 5612-5 (2014) Article DOI: 10.1016/j.bmcl.2014.10.087 BindingDB Entry DOI: 10.7270/Q2MG7R4K
					More data for this Ligand-Target Pair