null

SMILES: Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1

InChI Key: InChIKey=SFEUWZWDJUJKQP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50028561   

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))	BDBM50028561 (CHEMBL3342500) Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	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 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))	BDBM50028561 (CHEMBL3342500) Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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))	BDBM50028561 (CHEMBL3342500) Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	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))	BDBM50028561 (CHEMBL3342500) Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	214	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