BDBM50044030 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(S)-2-(3-carboxy-propionylamino)-3-1H-indol-3-yl-propionylamino]-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL324219

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

InChI Key: InChIKey=NUNDDHURULOMKG-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 = 50044030   

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))	BDBM50044030 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O Show InChI InChI=1S/C43H52N8O10/c1-26-12-6-8-16-30(26)50-43(61)45-21-11-10-18-32(40(58)49-34(24-38(55)56)42(60)51(2)35(39(44)57)22-27-13-4-3-5-14-27)48-41(59)33(47-36(52)19-20-37(53)54)23-28-25-46-31-17-9-7-15-29(28)31/h3-9,12-17,25,32-35,46H,10-11,18-24H2,1-2H3,(H2,44,57)(H,47,52)(H,48,59)(H,49,58)(H,53,54)(H,55,56)(H2,45,50,61)/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	6.40E+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)	BDBM50044030 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-[(...) Show SMILES CN([C@@H](Cc1ccccc1)C(N)=O)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O Show InChI InChI=1S/C43H52N8O10/c1-26-12-6-8-16-30(26)50-43(61)45-21-11-10-18-32(40(58)49-34(24-38(55)56)42(60)51(2)35(39(44)57)22-27-13-4-3-5-14-27)48-41(59)33(47-36(52)19-20-37(53)54)23-28-25-46-31-17-9-7-15-29(28)31/h3-9,12-17,25,32-35,46H,10-11,18-24H2,1-2H3,(H2,44,57)(H,47,52)(H,48,59)(H,49,58)(H,53,54)(H,55,56)(H2,45,50,61)/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	13	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