BDBM50241825 CHEMBL4081953

SMILES: Oc1ccc(CCCNC(=O)c2cc3cccc(O)c3oc2=O)cc1

InChI Key: InChIKey=AWVVNSTYMKDRQM-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 = 50241825   

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 (Homo sapiens (Human))	BDBM50241825 (CHEMBL4081953) Show SMILES Oc1ccc(CCCNC(=O)c2cc3cccc(O)c3oc2=O)cc1 Show InChI InChI=1S/C19H17NO5/c21-14-8-6-12(7-9-14)3-2-10-20-18(23)15-11-13-4-1-5-16(22)17(13)25-19(15)24/h1,4-9,11,21-22H,2-3,10H2,(H,20,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B1 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50241825 (CHEMBL4081953) Show SMILES Oc1ccc(CCCNC(=O)c2cc3cccc(O)c3oc2=O)cc1 Show InChI InChI=1S/C19H17NO5/c21-14-8-6-12(7-9-14)3-2-10-20-18(23)15-11-13-4-1-5-16(22)17(13)25-19(15)24/h1,4-9,11,21-22H,2-3,10H2,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AKR1B10 using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair