BDBM50286895 1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3-[(m-tolylamino-methyl)-amino]-1,3-dihydro-benzo[e][1,4]diazepin-2-one::CHEMBL345880

SMILES: Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

InChI Key: InChIKey=YTGBKAHCXKZZPK-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 = 50286895   

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
CCKBR (RAT)	BDBM50286895 (1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3...) Show SMILES Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10| Show InChI InChI=1S/C26H30N6O2/c1-17-8-7-9-18(14-17)27-16-28-24-25(34)32(15-22(33)26(2,3)4)21-11-6-5-10-19(21)23(30-24)20-12-13-29-31-20/h5-14,24,27-28H,15-16H2,1-4H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards gastrin/Cholecystokinin type B receptor from rat brain using [125I]-CCK-8 as the radioligand				Bioorg Med Chem Lett 6: 55-58 (1996) Article DOI: 10.1016/0960-894X(95)00557-A BindingDB Entry DOI: 10.7270/Q2CJ8DGT
					More data for this Ligand-Target Pair
Cholecystokinin receptor (RAT)	BDBM50286895 (1-(3,3-Dimethyl-2-oxo-butyl)-5-(1H-pyrazol-3-yl)-3...) Show SMILES Cc1cccc(NCNC2N=C(c3ccn[nH]3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10| Show InChI InChI=1S/C26H30N6O2/c1-17-8-7-9-18(14-17)27-16-28-24-25(34)32(15-22(33)26(2,3)4)21-11-6-5-10-19(21)23(30-24)20-12-13-29-31-20/h5-14,24,27-28H,15-16H2,1-4H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Cholecystokinin type A receptor from rat pancreas using [I125]-L-364,718 as the radioligand				Bioorg Med Chem Lett 6: 55-58 (1996) Article DOI: 10.1016/0960-894X(95)00557-A BindingDB Entry DOI: 10.7270/Q2CJ8DGT
					More data for this Ligand-Target Pair