BDBM50369818 CHEMBL1790318

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)CCc1cnc[nH]1)C(=O)NCc1ccccc1

InChI Key: InChIKey=WPSHIDJQCJOQBA-UXCLWCCASA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50369818   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50369818 (CHEMBL1790318) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)CCc1cnc[nH]1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H41N7O5/c1-4-19(2)26(29(41)31-15-21-9-6-5-7-10-21)35-28(40)23-11-8-14-36(23)25(38)17-32-27(39)20(3)34-24(37)13-12-22-16-30-18-33-22/h5-7,9-10,16,18-20,23,26H,4,8,11-15,17H2,1-3H3,(H,30,33)(H,31,41)(H,32,39)(H,34,37)(H,35,40)/t19-,20-,23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
D�partement D'Ing�nierie et D'Etudes des Prot�ines Curated by ChEMBL					Assay Description 50% inhibitory concentration of competitive binding against human Peptidyl-prolyl isomerase activity using uncoupled assay				J Med Chem 43: 1770-9 (2000) BindingDB Entry DOI: 10.7270/Q2SQ9135
					More data for this Ligand-Target Pair