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 = 'BDBM50437710'   

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))	BDBM50437710 (CHEMBL2409077) Show SMILES CCCCCc1ccc(CCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(O)=O)cc1 |r| Show InChI InChI=1S/C45H49N3O7/c1-2-3-4-7-30-10-12-31(13-11-30)19-25-42(51)46-39(27-32-15-21-37(49)22-16-32)43(52)47-40(28-33-17-23-38(50)24-18-33)44(53)48-41(45(54)55)29-34-14-20-35-8-5-6-9-36(35)26-34/h5-6,8-18,20-24,26,39-41,49-50H,2-4,7,19,25,27-29H2,1H3,(H,46,51)(H,47,52)(H,48,53)(H,54,55)/t39-,40+,41+/m1/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	600	n/a	n/a	n/a	n/a	n/a	n/a
Horizon Discovery Curated by ChEMBL					Assay Description Inhibition of human Pin1				Bioorg Med Chem Lett 23: 4283-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.088 BindingDB Entry DOI: 10.7270/Q2DV1M9T
					More data for this Ligand-Target Pair