BDBM50044025 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-3-(1H-indol-3-yl)-2-methoxycarbonylamino-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL317477

SMILES: COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XYVMADLAVILVLD-CUPIEXAXSA-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 = 50044025   

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))	BDBM50044025 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C41H50N8O9/c1-25-13-7-9-17-29(25)47-40(56)43-20-12-11-19-31(45-38(54)32(48-41(57)58-3)22-27-24-44-30-18-10-8-16-28(27)30)37(53)46-33(23-35(50)51)39(55)49(2)34(36(42)52)21-26-14-5-4-6-15-26/h4-10,13-18,24,31-34,44H,11-12,19-23H2,1-3H3,(H2,42,52)(H,45,54)(H,46,53)(H,48,57)(H,50,51)(H2,43,47,56)/t31-,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of specific binding to Cholecystokinin type B receptor in guinea pig cortex using [125I]Bolton-Hunter CCK-8				J Med Chem 37: 309-13 (1994) BindingDB Entry DOI: 10.7270/Q2445N4S
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50044025 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) Show SMILES COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C41H50N8O9/c1-25-13-7-9-17-29(25)47-40(56)43-20-12-11-19-31(45-38(54)32(48-41(57)58-3)22-27-24-44-30-18-10-8-16-28(27)30)37(53)46-33(23-35(50)51)39(55)49(2)34(36(42)52)21-26-14-5-4-6-15-26/h4-10,13-18,24,31-34,44H,11-12,19-23H2,1-3H3,(H2,42,52)(H,45,54)(H,46,53)(H,48,57)(H,50,51)(H2,43,47,56)/t31-,32-,33-,34-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of [125I]Bolton-Hunter CCK-8 binding to cholecystokinin type A receptor in guinea pig pancreas				J Med Chem 37: 309-13 (1994) BindingDB Entry DOI: 10.7270/Q2445N4S
					More data for this Ligand-Target Pair