BDBM50020576 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-4-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-butyric acid::CHEMBL359141

SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NC(Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XBQMARLCINVHEM-KTASUMOXSA-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 = 50020576   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50020576 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)CC(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H48N6O8/c1-21(2)15-28(33(47)39-24(19-31(44)45)18-30(43)40-27(32(37)46)16-22-11-7-6-8-12-22)41-34(48)29(42-35(49)50-36(3,4)5)17-23-20-38-26-14-10-9-13-25(23)26/h6-14,20-21,24,27-29,38H,15-19H2,1-5H3,(H2,37,46)(H,39,47)(H,40,43)(H,41,48)(H,42,49)(H,44,45)/t24-,27?,28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Invitro inhibition of binding of [125I]-(Nle)-HG-13 labeled Cholecystokinin type B receptor on isolated gastric mucosal cells of rabbit				J Med Chem 32: 522-8 (1989) BindingDB Entry DOI: 10.7270/Q2MW2G4H
					More data for this Ligand-Target Pair