BDBM50092394 (S)-3-((S)-2-{[(S)-2-(2-Amino-acetylamino)-3-(S)-1H-indol-3-yl-propionyl]-methyl-amino}-hexanoylamino)-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::3-(2-{[2-(2-Amino-acetylamino)-3-(1H-indol-3-yl)-propionyl]-methyl-amino}-hexanoylamino)-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL59865

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

InChI Key: InChIKey=CXNFPROZKYIEPE-FWEHEUNISA-N

Data: 2 KI  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 4 hits for monomerid = 50092394   

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)	BDBM50092394 ((S)-3-((S)-2-{[(S)-2-(2-Amino-acetylamino)-3-(S)-1...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H43N7O7/c1-3-4-14-27(40(2)33(47)26(37-28(41)18-34)16-21-19-36-23-13-9-8-12-22(21)23)32(46)39-25(17-29(42)43)31(45)38-24(30(35)44)15-20-10-6-5-7-11-20/h5-13,19,24-27,36H,3-4,14-18,34H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t24-,25-,26-,27-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	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))	BDBM50092394 ((S)-3-((S)-2-{[(S)-2-(2-Amino-acetylamino)-3-(S)-1...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H43N7O7/c1-3-4-14-27(40(2)33(47)26(37-28(41)18-34)16-21-19-36-23-13-9-8-12-22(21)23)32(46)39-25(17-29(42)43)31(45)38-24(30(35)44)15-20-10-6-5-7-11-20/h5-13,19,24-27,36H,3-4,14-18,34H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t24-,25-,26-,27-/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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50092394 ((S)-3-((S)-2-{[(S)-2-(2-Amino-acetylamino)-3-(S)-1...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H43N7O7/c1-3-4-14-27(40(2)33(47)26(37-28(41)18-34)16-21-19-36-23-13-9-8-12-22(21)23)32(46)39-25(17-29(42)43)31(45)38-24(30(35)44)15-20-10-6-5-7-11-20/h5-13,19,24-27,36H,3-4,14-18,34H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Cholecystokinin type B receptor in cortical membranes (CNS)				Bioorg Med Chem Lett 3: 2011-2016 (1993) Article DOI: 10.1016/S0960-894X(01)81005-2 BindingDB Entry DOI: 10.7270/Q2B27V63
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50092394 ((S)-3-((S)-2-{[(S)-2-(2-Amino-acetylamino)-3-(S)-1...) Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H43N7O7/c1-3-4-14-27(40(2)33(47)26(37-28(41)18-34)16-21-19-36-23-13-9-8-12-22(21)23)32(46)39-25(17-29(42)43)31(45)38-24(30(35)44)15-20-10-6-5-7-11-20/h5-13,19,24-27,36H,3-4,14-18,34H2,1-2H3,(H2,35,44)(H,37,41)(H,38,45)(H,39,46)(H,42,43)/t24-,25-,26-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Cholecystokinin type A receptor in pancreatic membranes				Bioorg Med Chem Lett 3: 2011-2016 (1993) Article DOI: 10.1016/S0960-894X(01)81005-2 BindingDB Entry DOI: 10.7270/Q2B27V63
					More data for this Ligand-Target Pair