BDBM50046126 3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-butoxycarbonyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-pentyl}-succinamic acid::CHEMBL2372776::CHEMBL3350335

SMILES: CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C

InChI Key: InChIKey=YPQMWDGKDLURHQ-VNNZRSTGSA-N

Data: 4 KI

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 4 hits for monomerid = 50046126   

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))	BDBM50046126 (3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50046126 (3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]pCCK-8 from cholecystokinin type B receptor in guinea pig brain membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50046126 (3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50046126 (3-(2-Amino-3-phenyl-propionylamino)-N-{1-[1-tert-b...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H45N5O7/c1-5-6-15-26(37-32(44)27(19-29(40)41)38-30(42)24(35)17-21-12-8-7-9-13-21)31(43)39-28(33(45)46-34(2,3)4)18-22-20-36-25-16-11-10-14-23(22)25/h7-14,16,20,24,26-28,36H,5-6,15,17-19,35H2,1-4H3,(H,37,44)(H,38,42)(H,39,43)(H,40,41)/t24-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]-pCCK-8 from cholecystokinin-A receptor in guinea pig pancreatic membrane				J Med Chem 36: 166-72 (1993) BindingDB Entry DOI: 10.7270/Q26M37FJ
					More data for this Ligand-Target Pair