null

SMILES: NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=VGKUXHROALHUFQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50496547   

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))	BDBM50496547 (CHEMBL3126824) Show SMILES NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50496547 (CHEMBL3126824) Show SMILES NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	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 carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50496547 (CHEMBL3126824) Show SMILES NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50496547 (CHEMBL3126824) Show SMILES NC(=O)c1cn(nc1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H13BrN4O3S/c17-11-3-1-10(2-4-11)15-14(16(18)22)9-21(20-15)12-5-7-13(8-6-12)25(19,23)24/h1-9H,(H2,18,22)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	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-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Eur J Med Chem 76: 284-90 (2014) Article DOI: 10.1016/j.ejmech.2014.02.023 BindingDB Entry DOI: 10.7270/Q2833W01
					More data for this Ligand-Target Pair