BDBM50008205 4-(3,3-Dimethyl-butylcarbamoyl)-4-[(1H-indole-2-carbonyl)-amino]-butyric acid::CHEMBL338134

SMILES: CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=WPVGADVMVUQURM-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 = 50008205   

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)	BDBM50008205 (4-(3,3-Dimethyl-butylcarbamoyl)-4-[(1H-indole-2-ca...) Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C20H27N3O4/c1-20(2,3)10-11-21-18(26)15(8-9-17(24)25)23-19(27)16-12-13-6-4-5-7-14(13)22-16/h4-7,12,15,22H,8-11H2,1-3H3,(H,21,26)(H,23,27)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.23E+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
CCKBR (RAT)	BDBM50008205 (4-(3,3-Dimethyl-butylcarbamoyl)-4-[(1H-indole-2-ca...) Show SMILES CC(C)(C)CCNC(=O)C(CCC(O)=O)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C20H27N3O4/c1-20(2,3)10-11-21-18(26)15(8-9-17(24)25)23-19(27)16-12-13-6-4-5-7-14(13)22-16/h4-7,12,15,22H,8-11H2,1-3H3,(H,21,26)(H,23,27)(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+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