Compile Data Set for Download or QSAR

Found 158 hits Enz. Inhib. hit(s) with all data for entry = 50008117   

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))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515804 (CHEMBL4581991) Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-3-2-4-14(18)9-13)10-16(20-21)12-5-7-15(8-6-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515810 (CHEMBL4539997) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(10-16(20-21)12-5-7-14(18)8-6-12)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515811 (CHEMBL4580659) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515804 (CHEMBL4581991) Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-3-2-4-14(18)9-13)10-16(20-21)12-5-7-15(8-6-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515802 (CHEMBL4456443) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-4-8-15(9-5-13)27-28(18,25)26)10-16(19-20)12-2-6-14(7-3-12)21(23)24/h2-9,17H,10H2,1H3,(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515839 (CHEMBL4590447) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-2-6-14(7-3-13)21(23)24)10-16(19-20)12-4-8-15(9-5-12)27-28(18,25)26/h2-9,17H,10H2,1H3,(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515835 (CHEMBL4454540) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515818 (CHEMBL4464778) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(12-5-7-14(8-6-12)18(19,20)21)10-16(23-24)13-3-2-4-15(9-13)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515813 (CHEMBL4565433) Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(OS(N)(=O)=O)cc1 |c:11| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-7-15(25-2)8-6-14)11-17(20-21)13-3-9-16(10-4-13)26-27(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515837 (CHEMBL4453349) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)cc1Cl |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-2-5-13(6-3-11)26-27(20,24)25)9-16(21-22)14-7-4-12(18)8-15(14)19/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515835 (CHEMBL4454540) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515808 (CHEMBL4438539) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515834 (CHEMBL4441496) Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515807 (CHEMBL4561870) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(10-16(20-21)12-5-7-14(18)8-6-12)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515830 (CHEMBL4470818) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515808 (CHEMBL4438539) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515834 (CHEMBL4441496) Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515809 (CHEMBL4529542) Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-5-2-6-14(18)8-13)10-16(20-21)12-4-3-7-15(9-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515822 (CHEMBL4473899) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-14(6-4-12)17-11-18(21(20-17)13(2)22)15-7-9-16(10-8-15)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515824 (CHEMBL4519062) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-2-5-13(6-3-11)26-27(20,24)25)9-16(21-22)12-4-7-14(18)15(19)8-12/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515823 (CHEMBL4532533) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(10-16(20-21)12-2-6-14(18)7-3-12)13-4-8-15(9-5-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515805 (CHEMBL4472783) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515836 (CHEMBL4591185) Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1cccc(OS(N)(=O)=O)c1 |c:11| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(13-6-8-15(25-2)9-7-13)11-17(20-21)14-4-3-5-16(10-14)26-27(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515814 (CHEMBL4540711) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515825 (CHEMBL4578546) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-6-8-14(9-7-12)17-11-18(21(20-17)13(2)22)15-4-3-5-16(10-15)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515818 (CHEMBL4464778) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(12-5-7-14(8-6-12)18(19,20)21)10-16(23-24)13-3-2-4-15(9-13)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515815 (CHEMBL4559197) Show SMILES CC(=O)N1N=C(CC1c1ccccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(14-4-2-3-5-15(14)18)10-16(20-21)12-6-8-13(9-7-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515830 (CHEMBL4470818) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515800 (CHEMBL4567031) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-7-4-12(18)8-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25)	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515826 (CHEMBL4447257) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-3-2-4-15(9-13)27-28(18,25)26)10-16(19-20)12-5-7-14(8-6-12)21(23)24/h2-9,17H,10H2,1H3,(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515802 (CHEMBL4456443) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-4-8-15(9-5-13)27-28(18,25)26)10-16(19-20)12-2-6-14(7-3-12)21(23)24/h2-9,17H,10H2,1H3,(H2,18,25,26)	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515806 (CHEMBL4533252) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	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
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515804 (CHEMBL4581991) Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-3-2-4-14(18)9-13)10-16(20-21)12-5-7-15(8-6-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515822 (CHEMBL4473899) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-14(6-4-12)17-11-18(21(20-17)13(2)22)15-7-9-16(10-8-15)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515817 (CHEMBL4447073) Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(12-5-7-14(8-6-12)21(23)24)10-16(19-20)13-3-2-4-15(9-13)27-28(18,25)26/h2-9,17H,10H2,1H3,(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515800 (CHEMBL4567031) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-7-4-12(18)8-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515832 (CHEMBL4527048) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccccc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(11-16(19-20)13-5-3-2-4-6-13)14-7-9-15(10-8-14)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515838 (CHEMBL4459675) Show SMILES CC(=O)N1N=C(CC1c1cc(Cl)ccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-8-12(18)4-7-15(14)19)9-16(21-22)11-2-5-13(6-3-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515835 (CHEMBL4454540) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515827 (CHEMBL4465172) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(Cl)cc1Cl |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-3-2-4-13(7-11)26-27(20,24)25)9-16(21-22)14-6-5-12(18)8-15(14)19/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515828 (CHEMBL4532575) Show SMILES CC(=O)N1N=C(CC1c1c(Cl)cccc1Cl)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-16(17-13(18)3-2-4-14(17)19)9-15(21-22)11-5-7-12(8-6-11)26-27(20,24)25/h2-8,16H,9H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515833 (CHEMBL4562874) Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccccc1 |c:4| Show InChI InChI=1S/C17H17N3O4S/c1-12(21)20-17(11-16(19-20)13-6-3-2-4-7-13)14-8-5-9-15(10-14)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515824 (CHEMBL4519062) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-2-5-13(6-3-11)26-27(20,24)25)9-16(21-22)12-4-7-14(18)15(19)8-12/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50515805 (CHEMBL4472783) Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515819 (CHEMBL4454405) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1Cl)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(14-6-5-12(18)8-15(14)19)9-16(21-22)11-3-2-4-13(7-11)26-27(20,24)25/h2-8,17H,9H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50515802 (CHEMBL4456443) Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-4-8-15(9-5-13)27-28(18,25)26)10-16(19-20)12-2-6-14(7-3-12)21(23)24/h2-9,17H,10H2,1H3,(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50515830 (CHEMBL4470818) Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 158 total )  |  Next  |  Last  >>

Jump to: