Compile Data Set for Download or QSAR

Found 40 hits with Last Name = 'toti' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511588 (CHEMBL4453207) Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511590 (CHEMBL4587627) Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511587 (CHEMBL4532721) Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA9 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA2 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511586 (CHEMBL4436859) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C13H13NO2STe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511591 (CHEMBL4453472) Show SMILES [#6]-c1cccc(-[#6])c1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C15H17NO2STe/c1-11-4-3-5-12(2)15(11)20-10-13-6-8-14(9-7-13)19(16,17)18/h3-9H,10H2,1-2H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	828	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50511589 (CHEMBL4482933) Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Te;v2]c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15NO2STe/c18-21(19,20)16-8-5-13(6-9-16)12-22-17-10-7-14-3-1-2-4-15(14)11-17/h1-11H,12H2,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA 1 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50511585 (CHEMBL4471819) Show SMILES [#6]-[#8]-c1cc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc(-[#8]-[#6])c1-[#8]-[#6] Show InChI InChI=1S/C16H19NO5STe/c1-20-14-8-13(9-15(21-2)16(14)22-3)24-10-11-4-6-12(7-5-11)23(17,18)19/h4-9H,10H2,1-3H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human CA4 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128147 BindingDB Entry DOI: 10.7270/Q27S7SJ2
					More data for this Ligand-Target Pair