BDBM50044037 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((S)-3-1H-indol-3-yl-2-isobutoxycarbonylamino-propionylamino)-6-(3-o-tolyl-ureido)-hexanoylamino]-N-methyl-succinamic acid::CHEMBL106722

SMILES: CC(C)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=ZTESUZUASFFSGQ-BQYLNSIHSA-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 = 50044037   

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))	BDBM50044037 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...) Show SMILES CC(C)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/C44H56N8O9/c1-27(2)26-61-44(60)51-35(23-30-25-47-33-19-11-9-17-31(30)33)41(57)48-34(20-12-13-21-46-43(59)50-32-18-10-8-14-28(32)3)40(56)49-36(24-38(53)54)42(58)52(4)37(39(45)55)22-29-15-6-5-7-16-29/h5-11,14-19,25,27,34-37,47H,12-13,20-24,26H2,1-4H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+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)	BDBM50044037 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-3-[(S)-2-((...) Show SMILES CC(C)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/C44H56N8O9/c1-27(2)26-61-44(60)51-35(23-30-25-47-33-19-11-9-17-31(30)33)41(57)48-34(20-12-13-21-46-43(59)50-32-18-10-8-14-28(32)3)40(56)49-36(24-38(53)54)42(58)52(4)37(39(45)55)22-29-15-6-5-7-16-29/h5-11,14-19,25,27,34-37,47H,12-13,20-24,26H2,1-4H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t34-,35-,36-,37-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	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