BDBM50044044 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((S)-3-1H-indol-3-yl-2-propionylamino-propionylamino)-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL420667

SMILES: CCC(=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=IHBIJADDDDFNAJ-BBACVFHCSA-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 = 50044044   

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))	BDBM50044044 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...) Show SMILES CCC(=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/C42H52N8O8/c1-4-36(51)46-33(23-28-25-45-31-19-11-9-17-29(28)31)40(56)47-32(20-12-13-21-44-42(58)49-30-18-10-8-14-26(30)2)39(55)48-34(24-37(52)53)41(57)50(3)35(38(43)54)22-27-15-6-5-7-16-27/h5-11,14-19,25,32-35,45H,4,12-13,20-24H2,1-3H3,(H2,43,54)(H,46,51)(H,47,56)(H,48,55)(H,52,53)(H2,44,49,58)/t32-,33-,34-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70E+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)	BDBM50044044 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...) Show SMILES CCC(=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/C42H52N8O8/c1-4-36(51)46-33(23-28-25-45-31-19-11-9-17-29(28)31)40(56)47-32(20-12-13-21-44-42(58)49-30-18-10-8-14-26(30)2)39(55)48-34(24-37(52)53)41(57)50(3)35(38(43)54)22-27-15-6-5-7-16-27/h5-11,14-19,25,32-35,45H,4,12-13,20-24H2,1-3H3,(H2,43,54)(H,46,51)(H,47,56)(H,48,55)(H,52,53)(H2,44,49,58)/t32-,33-,34-,35-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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