BDBM16315 6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,3-dihydropyridazin-3-one::6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one::62P::CHEMBL240725::CP-744809::Heterocyclic Sulfonylpyridazinone, 19m::Pyridazinone::benzofuran, 24

SMILES: Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1

InChI Key: InChIKey=FXFPQPNUMWQRAO-UHFFFAOYSA-N

Data: 4 IC50  1 ITC

PDB links: 2 PDB IDs match this monomer.

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 = 16315   

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))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) recombinant aldose reductase using D-glyceraldehyde as substrate incubated for 10 min prior to substrate addition ...				Citation and Details Article DOI: 10.1007/s00044-012-0261-1 BindingDB Entry DOI: 10.7270/Q2VX0KD3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of aldose reductase				Bioorg Med Chem 15: 7865-77 (2007) Article DOI: 10.1016/j.bmc.2007.08.019 BindingDB Entry DOI: 10.7270/Q2QR4WV6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 16315

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Aldose reductase (AR) (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...)	GoogleScholar PDB	DrugBank MMDB PC cid PC sid PDB		-8.24	n/a	n/a	6.04	n/a	24.9
Philipps-University Marburg					J Mol Biol 356: 45-56 (2006)