BDBM50048783 (R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-3-naphthalen-2-yl-propionic acid::CHEMBL416944

SMILES: OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1

InChI Key: InChIKey=JBQIMJBYDBPKHX-YPJJGMIRSA-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 = 50048783   

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))	BDBM50048783 ((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C34H37Cl2N3O5/c35-26-19-25(20-27(36)21-26)31(41)38-28(32(42)39-15-13-34(14-16-39)11-3-4-12-34)9-10-30(40)37-29(33(43)44)18-22-7-8-23-5-1-2-6-24(23)17-22/h1-2,5-8,17,19-21,28-29H,3-4,9-16,18H2,(H,37,40)(H,38,41)(H,43,44)/t28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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))	BDBM50048783 ((R)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichlor...) Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C34H37Cl2N3O5/c35-26-19-25(20-27(36)21-26)31(41)38-28(32(42)39-15-13-34(14-16-39)11-3-4-12-34)9-10-30(40)37-29(33(43)44)18-22-7-8-23-5-1-2-6-24(23)17-22/h1-2,5-8,17,19-21,28-29H,3-4,9-16,18H2,(H,37,40)(H,38,41)(H,43,44)/t28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	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