BDBM50456293 CHEMBL2111922

SMILES: COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1

InChI Key: InChIKey=YPPFHWFXNYPRSR-JOCHJYFZSA-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 = 50456293   

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))	BDBM50456293 (CHEMBL2111922) Show SMILES COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12| Show InChI InChI=1S/C24H22N4O3/c1-28-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)26-22(23(28)29)27-24(30)25-17-11-8-12-18(15-17)31-2/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	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
Cholecystokinin receptor (RAT)	BDBM50456293 (CHEMBL2111922) Show SMILES COc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:12| Show InChI InChI=1S/C24H22N4O3/c1-28-20-14-7-6-13-19(20)21(16-9-4-3-5-10-16)26-22(23(28)29)27-24(30)25-17-11-8-12-18(15-17)31-2/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	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