Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 398.4 BDBM50133591

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))	BDBM50133591 (CHEMBL3633000) Show SMILES Cn1nc(cc1C(=O)N[C@H](CCC(=O)N1CCCCC1)C(O)=O)-c1ccccc1 |r| Show InChI InChI=1S/C21H26N4O4/c1-24-18(14-17(23-24)15-8-4-2-5-9-15)20(27)22-16(21(28)29)10-11-19(26)25-12-6-3-7-13-25/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,22,27)(H,28,29)/t16-/m1/s1	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
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of Pin-1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition measured afte...				Bioorg Med Chem Lett 25: 5619-24 (2015) Article DOI: 10.1016/j.bmcl.2015.10.033 BindingDB Entry DOI: 10.7270/Q25X2BSP
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