BDBM50522317 CHEMBL4539238

SMILES: CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12

InChI Key: InChIKey=JAVDYLNBJZIQBH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50522317   

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 (Rattus norvegicus)	BDBM50522317 (CHEMBL4539238) Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of rat kidney ALR1 using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by substrate addition and measured for ...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50522317 (CHEMBL4539238) Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat erythrocytes assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromat...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50522317 (CHEMBL4539238) Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat sciatic nerve assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chroma...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036
					More data for this Ligand-Target Pair
Aldose reductase (Homo sapiens (Human))	BDBM50522317 (CHEMBL4539238) Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of human recombinant ALR2 expressed in Escherichia coli using DL-glyceraldehyde as substrate and NADPH preincubated for 5 mins followed by...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50522317 (CHEMBL4539238) Show SMILES CC(=O)c1ccc(cc1)S(=O)(=O)N1C(=O)NC(=O)C11CCCc2ccccc12 Show InChI InChI=1S/C20H18N2O5S/c1-13(23)14-8-10-16(11-9-14)28(26,27)22-19(25)21-18(24)20(22)12-4-6-15-5-2-3-7-17(15)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,21,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-i-Azam University Curated by ChEMBL					Assay Description Inhibition of ALR2 in rat lens assessed as reduction in sorbitol accumulation incubated for 3 hrs in presence of 28 mM glucose by gas chromatographic...				Eur J Med Chem 168: 154-175 (2019) Article DOI: 10.1016/j.ejmech.2019.02.036
					More data for this Ligand-Target Pair