BDBM50371762 CHEMBL271911

SMILES: COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=MLUHDVSELBSKPI-MHWRWJLKSA-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 = 50371762   

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))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	464	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	883	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 982-8 (2016) BindingDB Entry DOI: 10.7270/Q2KK9DNN
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production				Bioorg Med Chem 16: 2697-706 (2008) Article DOI: 10.1016/j.bmc.2007.11.033 BindingDB Entry DOI: 10.7270/Q2CR5V6J
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50371762 (CHEMBL271911) Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production				Bioorg Med Chem 16: 2697-706 (2008) Article DOI: 10.1016/j.bmc.2007.11.033 BindingDB Entry DOI: 10.7270/Q2CR5V6J
					More data for this Ligand-Target Pair