BDBM50004474 CCK7 analogue::CHEMBL316949::N-(1-Carbamoyl-2-phenyl-ethyl)-3-{2-[3-(1H-indol-3-yl)-2-(2-{2-[3-(4-sulfonyl-oxy-phenyl)-propionylamino]-hexanoylamino}-acetylamino)-propionylamino]-hexanoylamino}-succinamic acid

SMILES: CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=WLTSODCLBUFUDX-MQDBWYGVSA-N

Data: 3 IC50  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 = 50004474   

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))	BDBM50004474 (CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.990	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Dissociation rate constant of compound for mutant T46A Escherichia coli dihydrofolate reductase				J Med Chem 35: 2919-28 (1992) BindingDB Entry DOI: 10.7270/Q2W66JRH
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50004474 (CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro ability to inhibit [125I]Bolton-Hunter-CCK-8 binding to Cholecystokinin type A receptor in guinea pig pancreas				J Med Chem 37: 630-5 (1994) BindingDB Entry DOI: 10.7270/Q23X878C
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50004474 (CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Evaluated in vitro for its binding affinity towards cholecystokinin type B receptor of guinea pig cortex				J Med Chem 35: 2919-28 (1992) BindingDB Entry DOI: 10.7270/Q2W66JRH
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50004474 (CCK7 analogue | CHEMBL316949 | N-(1-Carbamoyl-2-ph...) Show SMILES CCCC[C@H](NC(=O)CCc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H60N8O13S/c1-3-5-15-35(51-40(56)23-20-29-18-21-32(22-19-29)68-69(65,66)67)44(61)50-28-41(57)52-38(25-31-27-49-34-17-11-10-14-33(31)34)46(63)53-36(16-6-4-2)45(62)55-39(26-42(58)59)47(64)54-37(43(48)60)24-30-12-8-7-9-13-30/h7-14,17-19,21-22,27,35-39,49H,3-6,15-16,20,23-26,28H2,1-2H3,(H2,48,60)(H,50,61)(H,51,56)(H,52,57)(H,53,63)(H,54,64)(H,55,62)(H,58,59)(H,65,66,67)/t35-,36-,37-,38-,39-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Evaluated in vitro for its binding affinity towards cholecystokinin type A receptor of guinea pig pancreas				J Med Chem 35: 2919-28 (1992) BindingDB Entry DOI: 10.7270/Q2W66JRH
					More data for this Ligand-Target Pair