Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50000552   

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 2 (Homo sapiens (Human))	BDBM50253215 (CHEMBL4093916) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2cc(Br)cc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C15H11BrF3N3O4SSe/c16-9-5-8(6-11(7-9)26-15(17,18)19)13(23)22-14(28)21-10-1-3-12(4-2-10)27(20,24)25/h1-7H,(H2,20,24,25)(H2,21,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253215 (CHEMBL4093916) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2cc(Br)cc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C15H11BrF3N3O4SSe/c16-9-5-8(6-11(7-9)26-15(17,18)19)13(23)22-14(28)21-10-1-3-12(4-2-10)27(20,24)25/h1-7H,(H2,20,24,25)(H2,21,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253234 (CHEMBL4101645) Show SMILES CCCCCCCc1ccc(cc1)C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H27N3O3SSe/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20(25)24-21(29)23-18-12-14-19(15-13-18)28(22,26)27/h8-15H,2-7H2,1H3,(H2,22,26,27)(H2,23,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253235 (CHEMBL4096359) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H17N3O3SSe/c17-23(21,22)14-8-6-12(7-9-14)10-11-18-16(24)19-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,21,22)(H2,18,19,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253215 (CHEMBL4093916) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2cc(Br)cc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C15H11BrF3N3O4SSe/c16-9-5-8(6-11(7-9)26-15(17,18)19)13(23)22-14(28)21-10-1-3-12(4-2-10)27(20,24)25/h1-7H,(H2,20,24,25)(H2,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253220 (CHEMBL4082685) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O6SSe/c1-9(20)25-14-5-3-2-4-11(14)15(22)19-16(27)18-12-8-10(26(17,23)24)6-7-13(12)21/h2-8,21H,1H3,(H2,17,23,24)(H2,18,19,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253221 (CHEMBL4092950) Show SMILES Cc1cc(ccc1Br)C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C15H14BrN3O4SSe/c1-8-6-9(2-4-11(8)16)14(21)19-15(25)18-12-7-10(24(17,22)23)3-5-13(12)20/h2-7,20H,1H3,(H2,17,22,23)(H2,18,19,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					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	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253221 (CHEMBL4092950) Show SMILES Cc1cc(ccc1Br)C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C15H14BrN3O4SSe/c1-8-6-9(2-4-11(8)16)14(21)19-15(25)18-12-7-10(24(17,22)23)3-5-13(12)20/h2-7,20H,1H3,(H2,17,22,23)(H2,18,19,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253233 (CHEMBL4063591) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3SSe/c1-10-4-2-5-11(8-10)14(19)18-15(23)17-12-6-3-7-13(9-12)22(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253214 (CHEMBL4066350) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5SSe/c1-10(20)24-14-5-3-2-4-13(14)15(21)19-16(26)18-11-6-8-12(9-7-11)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H2,18,19,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253235 (CHEMBL4096359) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H17N3O3SSe/c17-23(21,22)14-8-6-12(7-9-14)10-11-18-16(24)19-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,21,22)(H2,18,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253214 (CHEMBL4066350) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5SSe/c1-10(20)24-14-5-3-2-4-13(14)15(21)19-16(26)18-11-6-8-12(9-7-11)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H2,18,19,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253221 (CHEMBL4092950) Show SMILES Cc1cc(ccc1Br)C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C15H14BrN3O4SSe/c1-8-6-9(2-4-11(8)16)14(21)19-15(25)18-12-7-10(24(17,22)23)3-5-13(12)20/h2-7,20H,1H3,(H2,17,22,23)(H2,18,19,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					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
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253214 (CHEMBL4066350) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5SSe/c1-10(20)24-14-5-3-2-4-13(14)15(21)19-16(26)18-11-6-8-12(9-7-11)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H2,18,19,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253233 (CHEMBL4063591) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3SSe/c1-10-4-2-5-11(8-10)14(19)18-15(23)17-12-6-3-7-13(9-12)22(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253235 (CHEMBL4096359) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H17N3O3SSe/c17-23(21,22)14-8-6-12(7-9-14)10-11-18-16(24)19-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,21,22)(H2,18,19,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253219 (CHEMBL4078310) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O3SSe/c1-12-3-2-4-14(11-12)16(21)20-17(25)19-10-9-13-5-7-15(8-6-13)24(18,22)23/h2-8,11H,9-10H2,1H3,(H2,18,22,23)(H2,19,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253234 (CHEMBL4101645) Show SMILES CCCCCCCc1ccc(cc1)C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H27N3O3SSe/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20(25)24-21(29)23-18-12-14-19(15-13-18)28(22,26)27/h8-15H,2-7H2,1H3,(H2,22,26,27)(H2,23,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					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
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253217 (CHEMBL4067394) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H17N3O5SSe/c18-26(22,23)13-4-1-11(2-5-13)7-8-19-17(27)20-16(21)12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H2,18,22,23)(H2,19,20,21,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253217 (CHEMBL4067394) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H17N3O5SSe/c18-26(22,23)13-4-1-11(2-5-13)7-8-19-17(27)20-16(21)12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H2,18,22,23)(H2,19,20,21,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253236 (CHEMBL4100673) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=[Se])NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C20H17N3O4SSe/c21-28(26,27)16-10-11-18(24)17(12-16)22-20(29)23-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,26,27)(H2,22,23,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253236 (CHEMBL4100673) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=[Se])NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C20H17N3O4SSe/c21-28(26,27)16-10-11-18(24)17(12-16)22-20(29)23-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,26,27)(H2,22,23,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253233 (CHEMBL4063591) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3SSe/c1-10-4-2-5-11(8-10)14(19)18-15(23)17-12-6-3-7-13(9-12)22(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253220 (CHEMBL4082685) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O6SSe/c1-9(20)25-14-5-3-2-4-11(14)15(22)19-16(27)18-12-8-10(26(17,23)24)6-7-13(12)21/h2-8,21H,1H3,(H2,17,23,24)(H2,18,19,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	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 Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253234 (CHEMBL4101645) Show SMILES CCCCCCCc1ccc(cc1)C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H27N3O3SSe/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)20(25)24-21(29)23-18-12-14-19(15-13-18)28(22,26)27/h8-15H,2-7H2,1H3,(H2,22,26,27)(H2,23,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253220 (CHEMBL4082685) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O6SSe/c1-9(20)25-14-5-3-2-4-11(14)15(22)19-16(27)18-12-8-10(26(17,23)24)6-7-13(12)21/h2-8,21H,1H3,(H2,17,23,24)(H2,18,19,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253232 (CHEMBL4072192) Show SMILES NS(=O)(=O)c1ccccc1NC(=[Se])NC(=O)c1ccccc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-9-5-4-8-11(12)16-14(22)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253235 (CHEMBL4096359) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C16H17N3O3SSe/c17-23(21,22)14-8-6-12(7-9-14)10-11-18-16(24)19-15(20)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,17,21,22)(H2,18,19,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50253232 (CHEMBL4072192) Show SMILES NS(=O)(=O)c1ccccc1NC(=[Se])NC(=O)c1ccccc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-9-5-4-8-11(12)16-14(22)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253236 (CHEMBL4100673) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=[Se])NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C20H17N3O4SSe/c21-28(26,27)16-10-11-18(24)17(12-16)22-20(29)23-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,26,27)(H2,22,23,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253242 (CHEMBL4080767) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-8-6-11(7-9-12)16-14(22)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253220 (CHEMBL4082685) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O6SSe/c1-9(20)25-14-5-3-2-4-11(14)15(22)19-16(27)18-12-8-10(26(17,23)24)6-7-13(12)21/h2-8,21H,1H3,(H2,17,23,24)(H2,18,19,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253233 (CHEMBL4063591) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])Nc1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C15H15N3O3SSe/c1-10-4-2-5-11(8-10)14(19)18-15(23)17-12-6-3-7-13(9-12)22(16,20)21/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253215 (CHEMBL4093916) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2cc(Br)cc(OC(F)(F)F)c2)cc1 Show InChI InChI=1S/C15H11BrF3N3O4SSe/c16-9-5-8(6-11(7-9)26-15(17,18)19)13(23)22-14(28)21-10-1-3-12(4-2-10)27(20,24)25/h1-7H,(H2,20,24,25)(H2,21,22,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253214 (CHEMBL4066350) Show SMILES CC(=O)Oc1ccccc1C(=O)NC(=[Se])Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O5SSe/c1-10(20)24-14-5-3-2-4-13(14)15(21)19-16(26)18-11-6-8-12(9-7-11)25(17,22)23/h2-9H,1H3,(H2,17,22,23)(H2,18,19,21,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253221 (CHEMBL4092950) Show SMILES Cc1cc(ccc1Br)C(=O)NC(=[Se])Nc1cc(ccc1O)S(N)(=O)=O Show InChI InChI=1S/C15H14BrN3O4SSe/c1-8-6-9(2-4-11(8)16)14(21)19-15(25)18-12-7-10(24(17,22)23)3-5-13(12)20/h2-7,20H,1H3,(H2,17,22,23)(H2,18,19,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50253236 (CHEMBL4100673) Show SMILES NS(=O)(=O)c1ccc(O)c(NC(=[Se])NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C20H17N3O4SSe/c21-28(26,27)16-10-11-18(24)17(12-16)22-20(29)23-19(25)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,24H,(H2,21,26,27)(H2,22,23,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50334354 (4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253232 (CHEMBL4072192) Show SMILES NS(=O)(=O)c1ccccc1NC(=[Se])NC(=O)c1ccccc1 Show InChI InChI=1S/C14H13N3O3SSe/c15-21(19,20)12-9-5-4-8-11(12)16-14(22)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,15,19,20)(H2,16,17,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253217 (CHEMBL4067394) Show SMILES NS(=O)(=O)c1ccc(CCNC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H17N3O5SSe/c18-26(22,23)13-4-1-11(2-5-13)7-8-19-17(27)20-16(21)12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H2,18,22,23)(H2,19,20,21,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253216 (CHEMBL4104994) Show SMILES NS(=O)(=O)c1ccc(NC(=[Se])NC(=O)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C15H13N3O5SSe/c16-24(20,21)11-4-2-10(3-5-11)17-15(25)18-14(19)9-1-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H2,16,20,21)(H2,17,18,19,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50253219 (CHEMBL4078310) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O3SSe/c1-12-3-2-4-14(11-12)16(21)20-17(25)19-10-9-13-5-7-15(8-6-13)24(18,22)23/h2-8,11H,9-10H2,1H3,(H2,18,22,23)(H2,19,20,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-7 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50253219 (CHEMBL4078310) Show SMILES Cc1cccc(c1)C(=O)NC(=[Se])NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H19N3O3SSe/c1-12-3-2-4-14(11-12)16(21)20-17(25)19-10-9-13-5-7-15(8-6-13)24(18,22)23/h2-8,11H,9-10H2,1H3,(H2,18,22,23)(H2,19,20,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	146	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze, NEUROFARBA Dept., Sezione di Scienze Farmaceutiche, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy. Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem 25: 3567-3573 (2017) Article DOI: 10.1016/j.bmc.2017.05.014 BindingDB Entry DOI: 10.7270/Q27H1N1N
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>

Jump to: