Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'zieli?ska' and Initial = 'j'   

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 12 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284296 (CHEMBL4160499) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-8-10-18(11-9-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-7-2-1-6-19(20)43-14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284326 (CHEMBL4167327) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-7-4-8-17(12-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-10-2-1-9-18(19)42-13-14-5-3-6-15(11-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284269 (CHEMBL4172228) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-9-11-17(12-10-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-4-2-1-3-18(19)42-13-14-5-7-15(8-6-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50013792 (CHEBI:6822 | METHAZOLAMIDE | Neptazane) Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284302 (CHEMBL4166920) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-10-12-17(13-11-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-9-5-4-8-18(19)38-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	DrugBank MMDB PDB Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284302 (CHEMBL4166920) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-10-12-17(13-11-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-9-5-4-8-18(19)38-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB NCI pathway 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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284300 (CHEMBL4168396) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C24H24ClN9O4S3/c25-21-29-23(28-14-16-10-12-18(13-11-16)40(27,35)36)31-24(30-21)33-32-22(26)34-41(37,38)20-9-5-4-8-19(20)39-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,26,32,34)(H2,27,35,36)(H2,28,29,30,31,33)	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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284327 (CHEMBL4164338) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C27H24ClN9O4S3/c28-24-32-26(31-19-12-14-20(15-13-19)43(30,38)39)34-27(33-24)36-35-25(29)37-44(40,41)23-11-4-3-10-22(23)42-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-15H,16H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284269 (CHEMBL4172228) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-9-11-17(12-10-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-4-2-1-3-18(19)42-13-14-5-7-15(8-6-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284296 (CHEMBL4160499) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-8-10-18(11-9-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-7-2-1-6-19(20)43-14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	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
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284300 (CHEMBL4168396) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C24H24ClN9O4S3/c25-21-29-23(28-14-16-10-12-18(13-11-16)40(27,35)36)31-24(30-21)33-32-22(26)34-41(37,38)20-9-5-4-8-19(20)39-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,26,32,34)(H2,27,35,36)(H2,28,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284292 (CHEMBL4171758) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-7-11-18(12-8-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-4-2-1-3-19(20)43-14-16-5-9-17(10-6-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10883 (4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...) Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)	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	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284325 (CHEMBL4175204) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-9-6-10-17(13-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-12-5-4-11-18(19)38-14-15-7-2-1-3-8-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284302 (CHEMBL4166920) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-10-12-17(13-11-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-9-5-4-8-18(19)38-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284299 (CHEMBL4163877) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C28H26ClN9O4S3/c29-25-33-27(32-16-18-12-14-21(15-13-18)44(31,39)40)35-28(34-25)37-36-26(30)38-45(41,42)24-11-4-3-10-23(24)43-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15H,16-17H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284327 (CHEMBL4164338) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C27H24ClN9O4S3/c28-24-32-26(31-19-12-14-20(15-13-19)43(30,38)39)34-27(33-24)36-35-25(29)37-44(40,41)23-11-4-3-10-22(23)42-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-15H,16H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284300 (CHEMBL4168396) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C24H24ClN9O4S3/c25-21-29-23(28-14-16-10-12-18(13-11-16)40(27,35)36)31-24(30-21)33-32-22(26)34-41(37,38)20-9-5-4-8-19(20)39-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,26,32,34)(H2,27,35,36)(H2,28,29,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284302 (CHEMBL4166920) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-10-12-17(13-11-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-9-5-4-8-18(19)38-14-15-6-2-1-3-7-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284269 (CHEMBL4172228) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-9-11-17(12-10-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-4-2-1-3-18(19)42-13-14-5-7-15(8-6-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284292 (CHEMBL4171758) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-7-11-18(12-8-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-4-2-1-3-19(20)43-14-16-5-9-17(10-6-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284325 (CHEMBL4175204) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C23H22ClN9O4S3/c24-20-28-22(27-16-9-6-10-17(13-16)39(26,34)35)30-23(29-20)32-31-21(25)33-40(36,37)19-12-5-4-11-18(19)38-14-15-7-2-1-3-8-15/h1-13H,14H2,(H3,25,31,33)(H2,26,34,35)(H2,27,28,29,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284294 (CHEMBL4159017) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-8-10-17(11-9-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-4-3-5-15(12-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284327 (CHEMBL4164338) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C27H24ClN9O4S3/c28-24-32-26(31-19-12-14-20(15-13-19)43(30,38)39)34-27(33-24)36-35-25(29)37-44(40,41)23-11-4-3-10-22(23)42-16-18-8-5-7-17-6-1-2-9-21(17)18/h1-15H,16H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284292 (CHEMBL4171758) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-7-11-18(12-8-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-4-2-1-3-19(20)43-14-16-5-9-17(10-6-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284299 (CHEMBL4163877) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C28H26ClN9O4S3/c29-25-33-27(32-16-18-12-14-21(15-13-18)44(31,39)40)35-28(34-25)37-36-26(30)38-45(41,42)24-11-4-3-10-23(24)43-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15H,16-17H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	187	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284296 (CHEMBL4160499) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-8-10-18(11-9-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-7-2-1-6-19(20)43-14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284326 (CHEMBL4167327) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-7-4-8-17(12-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-10-2-1-9-18(19)42-13-14-5-3-6-15(11-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284296 (CHEMBL4160499) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H23ClF3N9O4S3/c26-21-33-23(32-13-15-8-10-18(11-9-15)44(31,39)40)35-24(34-21)37-36-22(30)38-45(41,42)20-7-2-1-6-19(20)43-14-16-4-3-5-17(12-16)25(27,28)29/h1-12H,13-14H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	256	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284300 (CHEMBL4168396) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccccc1 Show InChI InChI=1S/C24H24ClN9O4S3/c25-21-29-23(28-14-16-10-12-18(13-11-16)40(27,35)36)31-24(30-21)33-32-22(26)34-41(37,38)20-9-5-4-8-19(20)39-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,26,32,34)(H2,27,35,36)(H2,28,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	294	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50284301 (CHEMBL4160075) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-4-3-5-17(12-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-7-2-1-6-18(19)42-13-14-8-10-15(11-9-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284326 (CHEMBL4167327) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-7-4-8-17(12-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-10-2-1-9-18(19)42-13-14-5-3-6-15(11-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50284293 (CHEMBL4170714) Show SMILES N\C(NNc1nc(Cl)nc(Nc2cccc(c2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C27H24ClN9O4S3/c28-24-32-26(31-19-10-6-11-20(15-19)43(30,38)39)34-27(33-24)36-35-25(29)37-44(40,41)23-14-4-3-13-22(23)42-16-18-9-5-8-17-7-1-2-12-21(17)18/h1-15H,16H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50284299 (CHEMBL4163877) Show SMILES N\C(NNc1nc(Cl)nc(NCc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1cccc2ccccc12 Show InChI InChI=1S/C28H26ClN9O4S3/c29-25-33-27(32-16-18-12-14-21(15-13-18)44(31,39)40)35-28(34-25)37-36-26(30)38-45(41,42)24-11-4-3-10-23(24)43-17-20-8-5-7-19-6-1-2-9-22(19)20/h1-15H,16-17H2,(H3,30,36,38)(H2,31,39,40)(H2,32,33,34,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50284269 (CHEMBL4172228) Show SMILES N\C(NNc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)=N/S(=O)(=O)c1ccccc1SCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H21ClF3N9O4S3/c25-20-32-22(31-16-9-11-17(12-10-16)43(30,38)39)34-23(33-20)36-35-21(29)37-44(40,41)19-4-2-1-3-18(19)42-13-14-5-7-15(8-6-14)24(26,27)28/h1-12H,13H2,(H3,29,35,37)(H2,30,38,39)(H2,31,32,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	386	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Eur J Med Chem 143: 1931-1941 (2018) Article DOI: 10.1016/j.ejmech.2017.11.005 BindingDB Entry DOI: 10.7270/Q2HT2RW2
					More data for this Ligand-Target Pair

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