BDBM50286896 1-(3,3-Dimethyl-2-oxo-butyl)-5-thiazol-2-yl-3-[(m-tolylamino-methyl)-amino]-1,3-dihydro-benzo[e][1,4]diazepin-2-one::CHEMBL435447

SMILES: Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

InChI Key: InChIKey=JDYKYAAEGHKWPH-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 = 50286896   

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)	BDBM50286896 (1-(3,3-Dimethyl-2-oxo-butyl)-5-thiazol-2-yl-3-[(m-...) Show SMILES Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10| Show InChI InChI=1S/C26H29N5O2S/c1-17-8-7-9-18(14-17)28-16-29-23-25(33)31(15-21(32)26(2,3)4)20-11-6-5-10-19(20)22(30-23)24-27-12-13-34-24/h5-14,23,28-29H,15-16H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	0.800	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)	BDBM50286896 (1-(3,3-Dimethyl-2-oxo-butyl)-5-thiazol-2-yl-3-[(m-...) Show SMILES Cc1cccc(NCNC2N=C(c3nccs3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:10| Show InChI InChI=1S/C26H29N5O2S/c1-17-8-7-9-18(14-17)28-16-29-23-25(33)31(15-21(32)26(2,3)4)20-11-6-5-10-19(20)22(30-23)24-27-12-13-34-24/h5-14,23,28-29H,15-16H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	433	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