Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'bonneau' 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))	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	-45.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (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	PDB Article PubMed	5.70	-43.7	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 6 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	11	-42.2	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					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	-42.0	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 13 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	17	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	25	-40.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	41	-39.2	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 5B, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	54	-38.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	63	-38.2	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					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	-37.8	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	240	-35.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					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	-35.0	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	370	-34.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	370	-34.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	380	-34.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	390	-34.0	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	-33.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	420	-33.8	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	-33.8	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	460	-33.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	-33.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	800	-32.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	820	-32.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	840	-32.2	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	930	-32.0	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.87E+3	-30.4	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.27E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.63E+3	-29.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.98E+3	-29.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.34E+3	-28.0	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.25E+3	-27.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.11E+3	-27.3	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30E+4	-22.7	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.04E+5	-21.1	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50095994 (3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...) Show SMILES Oc1ccc2cc(C#N)c(=O)oc2c1 Show InChI InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM239155 (7-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2c(C)cc(=O)oc2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-8-12(3-4-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM239156 (6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-me...) Show SMILES Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O Show InChI InChI=1S/C16H15N3O5/c1-10-7-16(20)24-14-4-3-12(8-13(10)14)23-6-5-18-11(2)17-9-15(18)19(21)22/h3-4,7-9H,5-6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+5	>-19.6	n/a	n/a	n/a	n/a	n/a	7.5	4
Ecole Nationale Supérieure de Chimie de Montpellier					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...				J Enzyme Inhib Med Chem 28: 397-401 (2013) Article DOI: 10.3109/14756366.2011.650692 BindingDB Entry DOI: 10.7270/Q20Z726F
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598850 (CHEMBL5196713) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(Cl)cnc12 |(.92,2.78,;1.81,1.93,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,;1.45,.43,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;-3.87,2.68,;-4.93,3.3,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598845 (CHEMBL5201803) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1 |(3.4,-2.47,;3.69,-1.27,;5.17,-.84,;5.53,.66,;4.42,1.72,;4.71,2.92,;2.94,1.29,;2.05,2.14,;2.58,-.21,;1.07,-.53,;.45,-1.94,;1.06,-3.01,;-1.09,-1.78,;-2.11,-2.92,;-3.32,-2.67,;-1.73,-4.1,;-1.4,-.27,;-2.74,.5,;-2.74,2.04,;-1.4,2.81,;-.07,2.04,;-.07,.5,;-4.07,2.81,;-5.53,2.81,;-4.76,4.1,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598854 (CHEMBL5174684) Show SMILES Cc1cnc2n(c(N)c(C(N)=O)c2c1)-c1c(C)ccc(O)c1C |(-4.93,3.3,;-3.87,2.68,;-2.53,3.45,;-1.2,2.68,;-1.2,1.14,;-.05,.11,;-.68,-1.3,;-.06,-2.36,;-2.21,-1.13,;-3.24,-2.28,;-4.44,-2.03,;-2.86,-3.45,;-2.53,.37,;-3.87,1.14,;1.45,.43,;1.81,1.93,;.92,2.78,;3.29,2.36,;4.41,1.3,;4.04,-.2,;4.93,-1.05,;2.56,-.63,;2.27,-1.83,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598851 (CHEMBL5199076) Show SMILES Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C |(-4.93,2.68,;-3.87,2.07,;-3.87,.52,;-2.53,-.25,;-2.21,-1.75,;-3.24,-2.9,;-4.44,-2.64,;-2.86,-4.07,;-.68,-1.91,;-.06,-2.98,;-.05,-.5,;1.45,-.18,;1.81,1.31,;.92,2.16,;3.29,1.75,;4.41,.68,;4.04,-.81,;4.93,-1.66,;2.56,-1.25,;2.27,-2.44,;-1.2,.52,;-1.2,2.07,;-2.53,2.84,;-2.53,4.07,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598855 (CHEMBL5190904) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2cc(cnc12)C1CC1 |(1.78,2.14,;2.68,1.29,;4.15,1.72,;5.27,.66,;4.9,-.84,;5.8,-1.69,;3.43,-1.27,;3.13,-2.47,;2.32,-.21,;.81,-.53,;.18,-1.94,;.8,-3.01,;-1.35,-1.78,;-2.38,-2.92,;-3.58,-2.67,;-1.99,-4.09,;-1.67,-.27,;-3,.5,;-3,2.04,;-1.67,2.81,;-.33,2.04,;-.33,.5,;-4.34,2.81,;-5.8,2.81,;-5.03,4.09,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase (Homo sapiens (Human))	BDBM50598836 (CHEMBL5190822) Show SMILES Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc3cccc(C4=CCCC4)c3nc12 |t:24,(2.67,-3.9,;2.96,-2.7,;4.44,-2.27,;4.8,-.77,;3.69,.29,;3.98,1.49,;2.21,-.14,;1.32,.71,;1.85,-1.64,;.34,-1.96,;-.28,-3.37,;.33,-4.44,;-1.81,-3.21,;-2.84,-4.35,;-4.05,-4.1,;-2.46,-5.53,;-2.13,-1.7,;-3.47,-.93,;-3.47,.61,;-4.8,1.38,;-4.8,2.92,;-3.47,3.69,;-2.13,2.92,;-.8,3.69,;-.66,5.21,;.85,5.53,;1.62,4.19,;.59,3.05,;-2.13,1.38,;-.8,.61,;-.8,-.93,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00552 BindingDB Entry DOI: 10.7270/Q2028WKQ
					More data for this Ligand-Target Pair

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