BDBM50048747 2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-3-phenyl-propionic acid::CHEMBL30481

SMILES: OC(=O)C(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1

InChI Key: InChIKey=BIFUXSNCFINSQX-UHFFFAOYSA-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 = 50048747   

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))	BDBM50048747 (2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C30H35Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h1-3,6-7,17-19,24-25H,4-5,8-16H2,(H,33,36)(H,34,37)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	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))	BDBM50048747 (2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-be...) Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)CCC(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1 Show InChI InChI=1S/C30H35Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h1-3,6-7,17-19,24-25H,4-5,8-16H2,(H,33,36)(H,34,37)(H,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	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