Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3 BDBM50381008

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50381008 (CHEMBL2017124) Show SMILES CC(=O)Nc1ccc(NC(=O)C(O)=O)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C17H14N2O5/c1-10(20)18-12-7-8-14(19-16(22)17(23)24)13(9-12)15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,20)(H,19,22)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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 His6-tagged human Pin1 expressed in Escherichia coli BL21 using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by spectr...				Bioorg Med Chem 20: 2992-9 (2012) Article DOI: 10.1016/j.bmc.2012.03.005 BindingDB Entry DOI: 10.7270/Q2CC11Q1
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