BDBM50261759 4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide::CHEMBL512809

SMILES: COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1

InChI Key: InChIKey=PLCKTMGWXIPGQX-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50261759   

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 VB (Homo sapiens (Human))	BDBM50261759 (4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...) Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA5B by CO2 hydration assay				Bioorg Med Chem Lett 18: 4624-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.010 BindingDB Entry DOI: 10.7270/Q2959JF0
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261759 (4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...) Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration assay				Bioorg Med Chem Lett 18: 4624-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.010 BindingDB Entry DOI: 10.7270/Q2959JF0
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50261759 (4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...) Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA5A by CO2 hydration assay				Bioorg Med Chem Lett 18: 4624-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.010 BindingDB Entry DOI: 10.7270/Q2959JF0
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50261759 (4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...) Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration assay				Bioorg Med Chem Lett 18: 4624-7 (2008) Article DOI: 10.1016/j.bmcl.2008.07.010 BindingDB Entry DOI: 10.7270/Q2959JF0
					More data for this Ligand-Target Pair