BDBM50035834 Ac-Trp-L-3-MPt(Me)-Asp-Phe-NH2::CHEMBL287753

SMILES: CS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

InChI Key: InChIKey=ILPFXXPKWUDSBN-YYDZWWTMSA-N

Data: 2 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 2 hits for monomerid = 50035834   

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 (RAT)	BDBM50035834 (Ac-Trp-L-3-MPt(Me)-Asp-Phe-NH2 | CHEMBL287753) Show SMILES CS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type A receptor by displacement of [125I]-BH-CCK-8 from rat pancreatic acini				J Med Chem 38: 137-49 (1995) BindingDB Entry DOI: 10.7270/Q2QN65TS
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50035834 (Ac-Trp-L-3-MPt(Me)-Asp-Phe-NH2 | CHEMBL287753) Show SMILES CS[C@@H]1CCN([C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C32H38N6O7S/c1-18(39)35-25(15-20-17-34-22-11-7-6-10-21(20)22)32(45)38-13-12-26(46-2)28(38)31(44)37-24(16-27(40)41)30(43)36-23(29(33)42)14-19-8-4-3-5-9-19/h3-11,17,23-26,28,34H,12-16H2,1-2H3,(H2,33,42)(H,35,39)(H,36,43)(H,37,44)(H,40,41)/t23-,24-,25-,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type B receptor by displacement of [125I]-BH-CCK-8 from human jurkat cells				J Med Chem 38: 137-49 (1995) BindingDB Entry DOI: 10.7270/Q2QN65TS
					More data for this Ligand-Target Pair