BDBM50442506 CHEMBL2440411

SMILES: COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C

InChI Key: InChIKey=RWVPKZVHNKOTQF-XDOYNYLZSA-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 = 50442506   

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
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50442506 (CHEMBL2440411) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C Show InChI InChI=1S/C20H20N2O4/c1-12(2)21-19(24)17-10-13-4-7-15(23)11-18(13)26-20(17)22-14-5-8-16(25-3)9-6-14/h4-12,23H,1-3H3,(H,21,24)/b22-20-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B1 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50442506 (CHEMBL2440411) Show SMILES COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C Show InChI InChI=1S/C20H20N2O4/c1-12(2)21-19(24)17-10-13-4-7-15(23)11-18(13)26-20(17)22-14-5-8-16(25-3)9-6-14/h4-12,23H,1-3H3,(H,21,24)/b22-20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Escherichia coli by fluorescence assay in presence of NADPH				Bioorg Med Chem 21: 6378-84 (2013) Article DOI: 10.1016/j.bmc.2013.08.059 BindingDB Entry DOI: 10.7270/Q25T3MX4
					More data for this Ligand-Target Pair