Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'schäfer' and Initial = 's'   

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))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase IV (Bos taurus (bovine))	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...) Show SMILES CC(=O)N=c1sc(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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (docked)
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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM10881 (CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...) Show SMILES CC(=O)N=c1sc(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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10881 (CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...) Show SMILES CC(=O)N=c1sc(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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124181 ((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124189 (CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124189 (CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic Anhydrase IV (Bos taurus (bovine))	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)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124181 ((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124181 ((3aS,3bR,7aS,8aR)-N-(aminosulfonyl)-2,2,5,5-tetram...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)18-5-6-7(20-10)8-12(19-6,22-11(3,4)21-8)9(15)14-23(13,16)17/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124189 (CHEMBL354527 | [(3aS,3bR,7aS,8aS)-2,2,5,5-tetramet...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@@]2(COC(=O)NS(N)(=O)=O)O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)20-5-7-8(22-11)9-13(21-7,24-12(3,4)23-9)6-19-10(16)15-25(14,17)18/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8+,9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124184 (CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...) Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124186 (2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...) Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26994 (CHEMBL68253 | H2NSO3H | sulfamic acid) Show SMILES NS(O)(=O)=O Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124187 (2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124185 ((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...) Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124184 (CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...) Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124186 (2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...) Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124187 (2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM26995 (CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...) Show SMILES NS(N)(=O)=O Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124185 ((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...) Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26995 (CHEMBL355001 | H2NSO2NH2 | sulfamamide | sulfamide...) Show SMILES NS(N)(=O)=O Show InChI InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM26994 (CHEMBL68253 | H2NSO3H | sulfamic acid) Show SMILES NS(O)(=O)=O Show InChI InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124188 ((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124182 (2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124185 ((3aS,5R,5aS,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tet...) Show SMILES CC1(C)O[C@@H]2O[C@H]([C@H]3OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-11(2)19-5-6(20-11)8-10(22-12(3,4)21-8)18-7(5)9(15)14-23(13,16)17/h5-8,10H,1-4H3,(H,14,15)(H2,13,16,17)/t5-,6+,7+,8-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124188 ((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50124182 (2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124182 (2-{[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)20-6-5-19-12(9(16)14-15-24(13,17)18)8(7(6)21-10)22-11(3,4)23-12/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7-,8+,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124188 ((3aR,5aR,8aR,8bS)-N-(aminosulfonyl)-2,2,7,7-tetram...) Show SMILES CC1(C)O[C@@H]2CO[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)NS(N)(=O)=O Show InChI InChI=1S/C12H20N2O8S/c1-10(2)19-6-5-18-12(9(15)14-23(13,16)17)8(7(6)20-10)21-11(3,4)22-12/h6-8H,5H2,1-4H3,(H,14,15)(H2,13,16,17)/t6-,7-,8+,12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124186 (2-{[(3aR,5S,5aR,8aS,8bR)-2,2,7,7-tetramethyltetrah...) Show SMILES CC1(C)O[C@H]2O[C@@H]([C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-11(2)20-5-6(21-11)8-10(23-12(3,4)22-8)19-7(5)9(16)14-15-24(13,17)18/h5-8,10,15H,1-4H3,(H,14,16)(H2,13,17,18)/t5-,6+,7+,8-,10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124184 (CHEMBL354981 | [(3aS,5S,5aR,8aR,8bS)-2,2,7,7-tetra...) Show SMILES CC1(C)O[C@@H]2O[C@@H](COS(N)(=O)=O)[C@H]3OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C12H21NO8S/c1-11(2)18-7-6(5-16-22(13,14)15)17-10-9(8(7)19-11)20-12(3,4)21-10/h6-10H,5H2,1-4H3,(H2,13,14,15)/t6-,7+,8+,9-,10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124187 (2-{[(3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydr...) Show SMILES CC1(C)O[C@H]2[C@@H]3OC(C)(C)OC[C@@H]3O[C@]2(O1)C(=O)NNS(N)(=O)=O Show InChI InChI=1S/C12H21N3O8S/c1-10(2)19-5-6-7(21-10)8-12(20-6,23-11(3,4)22-8)9(16)14-15-24(13,17)18/h6-8,15H,5H2,1-4H3,(H,14,16)(H2,13,17,18)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) Article DOI: 10.1016/s0960-894x(03)00029-5 BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50357224 (D-PROLINE) Show SMILES OC(=O)[C@H]1CCCN1 Show InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50021610 (3-Guanidino-propionic acid | CHEMBL20489 | Guanidi...) Show SMILES NC(=N)NCCC(O)=O Show InChI InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50021601 ((carbamimidamido)acetic acid | CHEMBL281593 | Glyc...) Show SMILES NC(=N)NCC(O)=O Show InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50000100 ((-)-(S)-proline | (-)-2-pyrrolidinecarboxylic acid...) Show SMILES OC(=O)[C@@H]1CCCN1 Show InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair

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