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 = 'BDBM50437703'   

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))	BDBM50437703 (CHEMBL2409070) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)-c1c(O)c(cc(F)c1[N+]([O-])=O)[N+]([O-])=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H14FN3O9/c23-15-9-17(25(32)33)22(29)18(19(15)26(34)35)11-7-14(21(28)16(8-11)24(30)31)20(27)13-6-5-10-3-1-2-4-12(10)13/h1-4,7-9,13,28-29H,5-6H2	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Horizon Discovery Curated by ChEMBL					Assay Description Reversible 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