BDBM50008177 4-(3-Aza-spiro[5.5]undec-3-ylcarbamoyl)-4-(3,4-dichloro-benzoylamino)-butyric acid::CHEMBL340630

SMILES: OC(=O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1

InChI Key: InChIKey=YULOVSUKRKDDAN-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 = 50008177   

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 (RAT)	BDBM50008177 (4-(3-Aza-spiro[5.5]undec-3-ylcarbamoyl)-4-(3,4-dic...) Show SMILES OC(=O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 Show InChI InChI=1S/C22H29Cl2N3O4/c23-16-5-4-15(14-17(16)24)20(30)25-18(6-7-19(28)29)21(31)26-27-12-10-22(11-13-27)8-2-1-3-9-22/h4-5,14,18H,1-3,6-13H2,(H,25,30)(H,26,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Concentration required to inhibit by 50% specific binding of [125I](BH)-CCK-8 to cholecystokinin type A receptor in rat pancreatic acini				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair
CCKBR (RAT)	BDBM50008177 (4-(3-Aza-spiro[5.5]undec-3-ylcarbamoyl)-4-(3,4-dic...) Show SMILES OC(=O)CCC(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 Show InChI InChI=1S/C22H29Cl2N3O4/c23-16-5-4-15(14-17(16)24)20(30)25-18(6-7-19(28)29)21(31)26-27-12-10-22(11-13-27)8-2-1-3-9-22/h4-5,14,18H,1-3,6-13H2,(H,25,30)(H,26,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Rotta Research Laboratorium Curated by ChEMBL					Assay Description Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex				J Med Chem 35: 28-38 (1992) BindingDB Entry DOI: 10.7270/Q2XS5W11
					More data for this Ligand-Target Pair