BDBM50048739 (S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-4-(naphthalen-1-ylcarbamoyl)-butyric acid::CHEMBL281206

SMILES: OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12

InChI Key: InChIKey=SAEQKQVPZNTBGL-UFXYQILXSA-N

Data: 3 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 3 hits for monomerid = 50048739   

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))	BDBM50048739 ((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells				J Med Chem 39: 135-42 (1996) Article DOI: 10.1021/jm950372w BindingDB Entry DOI: 10.7270/Q2BZ66P3
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50048739 ((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in rat pancreas				J Med Chem 39: 135-42 (1996) Article DOI: 10.1021/jm950372w BindingDB Entry DOI: 10.7270/Q2BZ66P3
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50048739 ((S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C36H40Cl2N4O6/c37-25-20-24(21-26(38)22-25)33(46)41-30(35(48)42-18-16-36(17-19-42)14-3-4-15-36)10-12-31(43)39-29(11-13-32(44)45)34(47)40-28-9-5-7-23-6-1-2-8-27(23)28/h1-2,5-9,20-22,29-30H,3-4,10-19H2,(H,39,43)(H,40,47)(H,41,46)(H,44,45)/t29-,30?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Inhibition of binding of [3H]N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex				J Med Chem 39: 135-42 (1996) Article DOI: 10.1021/jm950372w BindingDB Entry DOI: 10.7270/Q2BZ66P3
					More data for this Ligand-Target Pair