null

SMILES: COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1

InChI Key: InChIKey=SARWKQZHFVAKFF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50028568   

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))	BDBM50028568 (CHEMBL3342487) Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	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 2 (Homo sapiens (Human))	BDBM50028568 (CHEMBL3342487) Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	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))	BDBM50028568 (CHEMBL3342487) Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	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 1 (Homo sapiens (Human))	BDBM50028568 (CHEMBL3342487) Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	377	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