BDBM50362835 CHEMBL1940400

SMILES: COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1

InChI Key: InChIKey=STRRKZLLUNQMGW-CSKARUKUSA-N

Data: 1 KI  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 4 hits for monomerid = 50362835   

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
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50362835 (CHEMBL1940400) Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1 Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Competitive inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ lin...				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair
Aldose reductase (AR) (Homo sapiens (Human))	BDBM50362835 (CHEMBL1940400) Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1 Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	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-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spe...				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50362835 (CHEMBL1940400) Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1 Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of AKR1B10-mediated farnesal metabolism in human HeLa cells preincubated for 2 hrs measured after 6 hrs following [1-14C]farnesol addition				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50362835 (CHEMBL1940400) Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1 Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	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-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...				Eur J Med Chem 48: 321-9 (2012) Article DOI: 10.1016/j.ejmech.2011.12.034 BindingDB Entry DOI: 10.7270/Q2TT4RDB
					More data for this Ligand-Target Pair