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 = 'BDBM50039706'   

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))	BDBM50039706 (CHEMBL3352871) Show SMILES [H][C@]1(CC[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](CCC(O)=O)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C34H44O6/c1-31(2)26-13-12-24-29(32(26,3)17-16-27(31)36)25(35)19-34(5)23(15-18-33(24,34)4)22(11-14-28(37)38)30(39)40-20-21-9-7-6-8-10-21/h6-10,22-23,26H,11-20H2,1-5H3,(H,37,38)/t22-,23-,26-,32-,33+,34-/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	1.47E+3	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