null

SMILES: CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1

InChI Key: InChIKey=JPVYQIISMMKRPL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50028562   

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))	BDBM50028562 (CHEMBL3342501) Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	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 recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Eur J Med Chem 87: 186-96 (2014) Article DOI: 10.1016/j.ejmech.2014.09.059 BindingDB Entry DOI: 10.7270/Q2PG1T90
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50028562 (CHEMBL3342501) Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	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 recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Eur J Med Chem 87: 186-96 (2014) Article DOI: 10.1016/j.ejmech.2014.09.059 BindingDB Entry DOI: 10.7270/Q2PG1T90
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50028562 (CHEMBL3342501) Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	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 recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Eur J Med Chem 87: 186-96 (2014) Article DOI: 10.1016/j.ejmech.2014.09.059 BindingDB Entry DOI: 10.7270/Q2PG1T90
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50028562 (CHEMBL3342501) Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	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 recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Eur J Med Chem 87: 186-96 (2014) Article DOI: 10.1016/j.ejmech.2014.09.059 BindingDB Entry DOI: 10.7270/Q2PG1T90
					More data for this Ligand-Target Pair