BDBM50300048 CHEMBL573145::Propyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate

SMILES: CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1

InChI Key: InChIKey=ZZAOHJAZKRMYHI-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 = 50300048   

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))	BDBM50300048 (CHEMBL573145 | Propyl 6-oxo-5,6,7,12-tetrahydroind...) Show SMILES CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)	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	6.20E+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))	BDBM50300048 (CHEMBL573145 | Propyl 6-oxo-5,6,7,12-tetrahydroind...) Show SMILES CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)	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	7.00E+5	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))	BDBM50300048 (CHEMBL573145 | Propyl 6-oxo-5,6,7,12-tetrahydroind...) Show SMILES CCCOC(=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C20H18N2O3/c1-2-9-25-20(24)12-7-8-17-14(10-12)15-11-18(23)21-16-6-4-3-5-13(16)19(15)22-17/h3-8,10,22H,2,9,11H2,1H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+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