null

SMILES: NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1

InChI Key: InChIKey=PATUIJZXCQRCLB-BJMVGYQFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50261606   

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 2 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		4.60	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 12 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		6	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))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	636	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair