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SMILES: C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O

InChI Key: InChIKey=OWEHSUAYDKGZPO-YBFXNURJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50171202   

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))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.40	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 carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	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 carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	59	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 carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171202 (CHEMBL3805222) Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C17H15N3O4S/c1-11(15-10-12-4-2-3-5-16(12)24-17(15)21)19-20-13-6-8-14(9-7-13)25(18,22)23/h2-10,20H,1H3,(H2,18,22,23)/b19-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	220	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 carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair