BDBM50056448 CHEMBL2371221::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{[(2R,5R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,14-dioxo-1,4diaza-cyclotetradecane-5-carbonyl]-amino}-succinamic acid

SMILES: C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=HJERLDHULRYYBI-KBSIUYBGSA-N

Data: 3 KI  1 EC50

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 = 50056448   

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))	BDBM50056448 (CHEMBL2371221 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...) Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H46N6O7/c1-36(21-24-22-38-26-16-12-11-15-25(24)26)35(49)41-27(17-9-4-2-3-5-10-18-30(43)42-36)33(47)40-29(20-31(44)45)34(48)39-28(32(37)46)19-23-13-7-6-8-14-23/h6-8,11-16,22,27-29,38H,2-5,9-10,17-21H2,1H3,(H2,37,46)(H,39,48)(H,40,47)(H,41,49)(H,42,43)(H,44,45)/t27-,28+,29+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]pCCK-8 binding to Guinea pig cortex membrane Cholecystokinin type B receptor				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50056448 (CHEMBL2371221 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...) Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H46N6O7/c1-36(21-24-22-38-26-16-12-11-15-25(24)26)35(49)41-27(17-9-4-2-3-5-10-18-30(43)42-36)33(47)40-29(20-31(44)45)34(48)39-28(32(37)46)19-23-13-7-6-8-14-23/h6-8,11-16,22,27-29,38H,2-5,9-10,17-21H2,1H3,(H2,37,46)(H,39,48)(H,40,47)(H,41,49)(H,42,43)(H,44,45)/t27-,28+,29+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity to inhibit [3H]pCCK-8 specific binding on rat brain Cholecystokinin type B receptor expressed in CHO cells				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50056448 (CHEMBL2371221 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...) Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H46N6O7/c1-36(21-24-22-38-26-16-12-11-15-25(24)26)35(49)41-27(17-9-4-2-3-5-10-18-30(43)42-36)33(47)40-29(20-31(44)45)34(48)39-28(32(37)46)19-23-13-7-6-8-14-23/h6-8,11-16,22,27-29,38H,2-5,9-10,17-21H2,1H3,(H2,37,46)(H,39,48)(H,40,47)(H,41,49)(H,42,43)(H,44,45)/t27-,28+,29+,36-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50056448 (CHEMBL2371221 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-{...) Show SMILES C[C@]1(Cc2c[nH]c3ccccc23)NC(=O)CCCCCCCC[C@@H](NC1=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C36H46N6O7/c1-36(21-24-22-38-26-16-12-11-15-25(24)26)35(49)41-27(17-9-4-2-3-5-10-18-30(43)42-36)33(47)40-29(20-31(44)45)34(48)39-28(32(37)46)19-23-13-7-6-8-14-23/h6-8,11-16,22,27-29,38H,2-5,9-10,17-21H2,1H3,(H2,37,46)(H,39,48)(H,40,47)(H,41,49)(H,42,43)(H,44,45)/t27-,28+,29+,36-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Effective concentration for the stimulation of Inositol Phosphate accumulation in CHO cells expressing wild-type Cholecystokinin type B receptor				J Med Chem 40: 647-58 (1997) Article DOI: 10.1021/jm9603072 BindingDB Entry DOI: 10.7270/Q2PG1SDX
					More data for this Ligand-Target Pair