BDBM50008212 4-(3-Chloro-benzoylamino)-4-(3-ethyl-3-methyl-pentylcarbamoyl)-butyric acid::CHEMBL338929

SMILES: CCC(C)(CC)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1

InChI Key: InChIKey=NSRJJORETYUONF-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 = 50008212   

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 type A (RAT)	BDBM50008212 (4-(3-Chloro-benzoylamino)-4-(3-ethyl-3-methyl-pent...) Show SMILES CCC(C)(CC)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H29ClN2O4/c1-4-20(3,5-2)11-12-22-19(27)16(9-10-17(24)25)23-18(26)14-7-6-8-15(21)13-14/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.11E+4	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
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50008212 (4-(3-Chloro-benzoylamino)-4-(3-ethyl-3-methyl-pent...) Show SMILES CCC(C)(CC)CCNC(=O)C(CCC(O)=O)NC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C20H29ClN2O4/c1-4-20(3,5-2)11-12-22-19(27)16(9-10-17(24)25)23-18(26)14-7-6-8-15(21)13-14/h6-8,13,16H,4-5,9-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	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