BDBM50035688 CHEMBL2377780

SMILES: NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1

InChI Key: InChIKey=AYNHSSHRIRNWEB-UHFFFAOYSA-N

Data: 4 KI  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 6 hits for monomerid = 50035688   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50035688 (CHEMBL2377780) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair