BDBM50250247 CHEMBL4103353

SMILES: COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1

InChI Key: InChIKey=SUWQBHNNQMVQBM-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 = 50250247   

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))	BDBM50250247 (CHEMBL4103353) Show SMILES COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:37:32:39:38.36.35,37:36:39:33.32.31,33:34:38:32.37.31,THB:33:32:38:39.34.35| Show InChI InChI=1S/C33H42N2O6/c1-38-32(37)26-3-8-30(40-12-2-9-35-10-13-39-14-11-35)29(18-26)34-31(36)22-41-28-6-4-27(5-7-28)33-19-23-15-24(20-33)17-25(16-23)21-33/h3-8,18,23-25H,2,9-17,19-22H2,1H3,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair
Malate dehydrogenase cytoplasmic (Homo sapiens (Human))	BDBM50250247 (CHEMBL4103353) Show SMILES COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:37:32:39:38.36.35,37:36:39:33.32.31,33:34:38:32.37.31,THB:33:32:38:39.34.35| Show InChI InChI=1S/C33H42N2O6/c1-38-32(37)26-3-8-30(40-12-2-9-35-10-13-39-14-11-35)29(18-26)34-31(36)22-41-28-6-4-27(5-7-28)33-19-23-15-24(20-33)17-25(16-23)21-33/h3-8,18,23-25H,2,9-17,19-22H2,1H3,(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dongguk University , Goyang 10326, Korea. Curated by ChEMBL					Assay Description Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assay				J Med Chem 60: 8631-8646 (2017) Article DOI: 10.1021/acs.jmedchem.7b01231 BindingDB Entry DOI: 10.7270/Q2QZ2DCF
					More data for this Ligand-Target Pair