BDBM50456298 CHEMBL2092976

SMILES: Clc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1

InChI Key: InChIKey=ZBDUNBHRAGZXHV-SANMLTNESA-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 = 50456298   

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)	BDBM50456298 (CHEMBL2092976) Show SMILES Clc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |r,t:10| Show InChI InChI=1S/C28H26ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(18-24(35)33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,26H,6-7,16-18H2,(H2,30,32,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]CCK-8 to cholecystokinin type A receptor in rat pancreatic tissue				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50456298 (CHEMBL2092976) Show SMILES Clc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)N3CCCC3)C2=O)cc1 |r,t:10| Show InChI InChI=1S/C28H26ClN5O3/c29-20-12-14-21(15-13-20)30-28(37)32-26-27(36)34(18-24(35)33-16-6-7-17-33)23-11-5-4-10-22(23)25(31-26)19-8-2-1-3-9-19/h1-5,8-15,26H,6-7,16-18H2,(H2,30,32,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-CCK-8 to the cholecystokinin type B receptor				J Med Chem 36: 4276-92 (1994) BindingDB Entry DOI: 10.7270/Q22J6CH9
					More data for this Ligand-Target Pair