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SMILES: COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=JQLSHAWXMXDQLE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50496159   

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))	BDBM50496159 (CHEMBL3121769) Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S2/c1-22-12-6-2-10(3-7-12)14-17-18-15(23)19(14)11-4-8-13(9-5-11)24(16,20)21/h2-9H,1H3,(H,18,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 1873-82 (2014) Article DOI: 10.1016/j.bmc.2014.01.055 BindingDB Entry DOI: 10.7270/Q2W098W2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50496159 (CHEMBL3121769) Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S2/c1-22-12-6-2-10(3-7-12)14-17-18-15(23)19(14)11-4-8-13(9-5-11)24(16,20)21/h2-9H,1H3,(H,18,23)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 1873-82 (2014) Article DOI: 10.1016/j.bmc.2014.01.055 BindingDB Entry DOI: 10.7270/Q2W098W2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50496159 (CHEMBL3121769) Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S2/c1-22-12-6-2-10(3-7-12)14-17-18-15(23)19(14)11-4-8-13(9-5-11)24(16,20)21/h2-9H,1H3,(H,18,23)(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 1873-82 (2014) Article DOI: 10.1016/j.bmc.2014.01.055 BindingDB Entry DOI: 10.7270/Q2W098W2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50496159 (CHEMBL3121769) Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O3S2/c1-22-12-6-2-10(3-7-12)14-17-18-15(23)19(14)11-4-8-13(9-5-11)24(16,20)21/h2-9H,1H3,(H,18,23)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	271	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay				Bioorg Med Chem 22: 1873-82 (2014) Article DOI: 10.1016/j.bmc.2014.01.055 BindingDB Entry DOI: 10.7270/Q2W098W2
					More data for this Ligand-Target Pair