BDBM50369816 CHEMBL1790319

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=NGGQWVQJSGMWFA-ZVRCLDIHSA-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 = 50369816   

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))	BDBM50369816 (CHEMBL1790319) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C31H44N8O6/c1-5-19(2)27(31(45)33-15-22-10-7-6-8-11-22)38-30(44)25-12-9-13-39(25)26(41)17-34-28(42)20(3)36-29(43)24(37-21(4)40)14-23-16-32-18-35-23/h6-8,10-11,16,18-20,24-25,27H,5,9,12-15,17H2,1-4H3,(H,32,35)(H,33,45)(H,34,42)(H,36,43)(H,37,40)(H,38,44)/t19-,20-,24-,25-,27-/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	2.80E+5	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