Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.5 BDBM50133478

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))	BDBM50133478 (CHEMBL3633028) Show SMILES OC(=O)[C@@H](CCC(=O)NC1CCCCCCC1)NC(=O)c1csc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C23H29N3O4S/c27-20(24-17-11-7-2-1-3-8-12-17)14-13-18(23(29)30)25-21(28)19-15-31-22(26-19)16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,1-3,7-8,11-14H2,(H,24,27)(H,25,28)(H,29,30)/t18-/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	>5.00E+4	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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