BDBM50300054 9-Bromo-5-(4-methoxybenzyl)-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one::CHEMBL568703

SMILES: COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1

InChI Key: InChIKey=JHJLYILMESERSD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50300054   

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
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50300054 (9-Bromo-5-(4-methoxybenzyl)-7,12-dihydroindolo[3,2...) Show SMILES COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1 Show InChI InChI=1S/C24H19BrN2O2/c1-29-17-9-6-15(7-10-17)14-27-22-5-3-2-4-18(22)24-20(13-23(27)28)19-12-16(25)8-11-21(19)26-24/h2-12,26H,13-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of mitochondrial malate dehydrogenase by spectrophotometry				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50300054 (9-Bromo-5-(4-methoxybenzyl)-7,12-dihydroindolo[3,2...) Show SMILES COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1 Show InChI InChI=1S/C24H19BrN2O2/c1-29-17-9-6-15(7-10-17)14-27-22-5-3-2-4-18(22)24-20(13-23(27)28)19-12-16(25)8-11-21(19)26-24/h2-12,26H,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50300054 (9-Bromo-5-(4-methoxybenzyl)-7,12-dihydroindolo[3,2...) Show SMILES COc1ccc(CN2c3ccccc3-c3[nH]c4ccc(Br)cc4c3CC2=O)cc1 Show InChI InChI=1S/C24H19BrN2O2/c1-29-17-9-6-15(7-10-17)14-27-22-5-3-2-4-18(22)24-20(13-23(27)28)19-12-16(25)8-11-21(19)26-24/h2-12,26H,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				Eur J Med Chem 45: 335-42 (2010) Article DOI: 10.1016/j.ejmech.2009.10.018 BindingDB Entry DOI: 10.7270/Q26W9C1V
					More data for this Ligand-Target Pair