BDBM50092384 CHEMBL100538::N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2-{[2-(3-carboxy-propionylamino)-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-hexanoylamino)-succinamic acid

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

InChI Key: InChIKey=WMQZPAITDIHGTD-LJWNLINESA-N

Data: 2 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 3 hits for monomerid = 50092384   

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 A receptor (Cavia porcellus)	BDBM50092384 (CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membranes.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50092384 (CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Binding affinity against cholecystokinin type B receptor on guinea pig cortex.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50092384 (CHEMBL100538 | N-(1-Carbamoyl-2-phenyl-ethyl)-3-(2...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C35H44N6O9/c1-3-4-14-28(34(49)40-26(19-31(45)46)33(48)39-25(32(36)47)17-21-10-6-5-7-11-21)41(2)35(50)27(38-29(42)15-16-30(43)44)18-22-20-37-24-13-9-8-12-23(22)24/h5-13,20,25-28,37H,3-4,14-19H2,1-2H3,(H2,36,47)(H,38,42)(H,39,48)(H,40,49)(H,43,44)(H,45,46)/t25-,26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Affinity against Cholecystokinin type B receptor expressed in CHO cells on rat brain.				J Med Chem 43: 3614-23 (2000) BindingDB Entry DOI: 10.7270/Q2RN373C
					More data for this Ligand-Target Pair