BDBM50048744 (S)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentanoic acid::CHEMBL286510

SMILES: OC(=O)CC[C@H](NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=IPMHDUBMOPQXIZ-XLTVJXRZSA-N

Data: 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 2 hits for monomerid = 50048744   

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))	BDBM50048744 ((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)N1CCc2ccccc2C1 Show InChI InChI=1S/C35H42Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h1-2,5-6,19-21,28-29H,3-4,7-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t28-,29?/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	49	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 (Homo sapiens (Human))	BDBM50048744 ((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)N1CCc2ccccc2C1 Show InChI InChI=1S/C35H42Cl2N4O6/c36-26-19-25(20-27(37)21-26)32(45)39-29(33(46)40-17-14-35(15-18-40)12-3-4-13-35)7-9-30(42)38-28(8-10-31(43)44)34(47)41-16-11-23-5-1-2-6-24(23)22-41/h1-2,5-6,19-21,28-29H,3-4,7-18,22H2,(H,38,42)(H,39,45)(H,43,44)/t28-,29?/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	140	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