Compile Data Set for Download or QSAR

Found 321 hits with Last Name = 'turk' 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
Cholinesterase (Homo sapiens (Human))	BDBM50027375 (CHEMBL3338394) Show SMILES COCCN(C[C@@H]1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE at 50 nM by stopped flow apparatus method				J Med Chem 57: 8167-79 (2014) Article DOI: 10.1021/jm501195e BindingDB Entry DOI: 10.7270/Q22V2HQ7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50219490 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...) Show SMILES OC(=O)c1cc(cc(Br)c1O)-c1ccccc1 Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation at 400 uM by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					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 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
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Balikesir University Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50027377 (CHEMBL3338395) Show SMILES COCCN(C[C@H]1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H34N2O2/c1-33-16-15-31(29(32)27-13-12-23-8-2-3-9-24(23)17-27)21-22-7-6-14-30(20-22)28-18-25-10-4-5-11-26(25)19-28/h2-5,8-13,17,22,28H,6-7,14-16,18-21H2,1H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE at 50 nM by stopped flow apparatus method				J Med Chem 57: 8167-79 (2014) Article DOI: 10.1021/jm501195e BindingDB Entry DOI: 10.7270/Q22V2HQ7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	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 Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	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 Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10862 (4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...) Show SMILES Nc1ccc(cc1F)S(N)(=O)=O Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10862 (4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...) Show SMILES Nc1ccc(cc1F)S(N)(=O)=O Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10868 (1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...) Show SMILES Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10867 (4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...) Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10867 (4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...) Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396749 (CHEMBL2172258) Show SMILES Oc1[nH]c(=O)sc1CC(=O)Nc1ccccc1O Show InChI InChI=1S/C11H10N2O4S/c14-7-4-2-1-3-6(7)12-9(15)5-8-10(16)13-11(17)18-8/h1-4,14,16H,5H2,(H,12,15)(H,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	107	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10877 (4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...) Show SMILES NS(=O)(=O)c1ccc(CCO)cc1 Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10877 (4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...) Show SMILES NS(=O)(=O)c1ccc(CCO)cc1 Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50335199 (3-Acetyl-7-(4-hydroxyphenyl)-2H-chromen-2-one | CH...) Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(O)cc1 Show InChI InChI=1S/C17H12O4/c1-10(18)15-8-13-3-2-12(9-16(13)21-17(15)20)11-4-6-14(19)7-5-11/h2-9,19H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...				J Med Chem 54: 248-61 (2011) Article DOI: 10.1021/jm101104z BindingDB Entry DOI: 10.7270/Q2QV3NG1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50335195 (3-Acetyl-2-oxo-2H-chromen-7-yl trifluoromethanesul...) Show SMILES CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O Show InChI InChI=1S/C12H7F3O6S/c1-6(16)9-4-7-2-3-8(5-10(7)20-11(9)17)21-22(18,19)12(13,14)15/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...				J Med Chem 54: 248-61 (2011) Article DOI: 10.1021/jm101104z BindingDB Entry DOI: 10.7270/Q2QV3NG1
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	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	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (docked)
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
Balikesir University Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10887 (Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE 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
Balikesir University Curated by ChEMBL					Assay Description Inhibition of wild type human recombinant carbonic anhydrase 1 expressed in Escherichia coli BL21 (DE3) after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	PDB MMDB 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	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50335198 (3-Acetyl-7-(4-methoxyphenyl)-2H-chromen-2-one | CH...) Show SMILES COc1ccc(cc1)-c1ccc2cc(C(C)=O)c(=O)oc2c1 Show InChI InChI=1S/C18H14O4/c1-11(19)16-9-14-4-3-13(10-17(14)22-18(16)20)12-5-7-15(21-2)8-6-12/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...				J Med Chem 54: 248-61 (2011) Article DOI: 10.1021/jm101104z BindingDB Entry DOI: 10.7270/Q2QV3NG1
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50335197 (3-Acetyl-7-para-tolyl-2H-chromen-2-one | CHEMBL165...) Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(C)cc1 Show InChI InChI=1S/C18H14O3/c1-11-3-5-13(6-4-11)14-7-8-15-9-16(12(2)19)18(20)21-17(15)10-14/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	585	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...				J Med Chem 54: 248-61 (2011) Article DOI: 10.1021/jm101104z BindingDB Entry DOI: 10.7270/Q2QV3NG1
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50134036 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1C Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)	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	810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair				3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50335196 (3-Acetyl-7-phenyl-2H-chromen-2-one | CHEMBL1650699) Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccccc1 Show InChI InChI=1S/C17H12O3/c1-11(18)15-9-14-8-7-13(10-16(14)20-17(15)19)12-5-3-2-4-6-12/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	911	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...				J Med Chem 54: 248-61 (2011) Article DOI: 10.1021/jm101104z BindingDB Entry DOI: 10.7270/Q2QV3NG1
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396749 (CHEMBL2172258) Show SMILES Oc1[nH]c(=O)sc1CC(=O)Nc1ccccc1O Show InChI InChI=1S/C11H10N2O4S/c14-7-4-2-1-3-6(7)12-9(15)5-8-10(16)13-11(17)18-8/h1-4,14,16H,5H2,(H,12,15)(H,13,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354254 (CHEMBL1836506) Show SMILES Clc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-6-13(7-9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396748 (CHEMBL366350) Show SMILES O=C1CCC2(Nc3ccccc3N12)c1ccccc1 Show InChI InChI=1S/C16H14N2O/c19-15-10-11-16(12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18(15)16/h1-9,17H,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354244 (CHEMBL1836467) Show SMILES [O-][N+](=O)c1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-5-2-1-3-6-12)20-17(19-15)26-11-13-7-4-8-14(9-13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354245 (CHEMBL1836519) Show SMILES O=c1nc(SCC2CCCCC2)nc(SCc2ccccc2)[nH]1 Show InChI InChI=1S/C17H21N3OS2/c21-15-18-16(22-11-13-7-3-1-4-8-13)20-17(19-15)23-12-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354234 (CHEMBL1836469) Show SMILES Clc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-9-5-4-8-13(14)11-24-17-20-15(22)19-16(21-17)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50396731 (CHEMBL2172254) Show SMILES OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 Show InChI InChI=1S/C15H10O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h1-7H,8H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human))	BDBM50396731 (CHEMBL2172254) Show SMILES OC(=O)COc1ccc2c(c1)oc(=O)c1ccccc21 Show InChI InChI=1S/C15H10O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h1-7H,8H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354255 (CHEMBL1836468) Show SMILES [O-][N+](=O)c1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-4-2-1-3-5-12)20-17(19-15)26-11-13-6-8-14(9-7-13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354254 (CHEMBL1836506) Show SMILES Clc1ccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)cc1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-6-13(7-9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate ...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354256 (CHEMBL1836460) Show SMILES COc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1 Show InChI InChI=1S/C18H17N3O2S2/c1-23-15-10-6-5-9-14(15)12-25-18-20-16(22)19-17(21-18)24-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate ...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) Show SMILES O=C1NS(=O)(=O)c2ccccc12 Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by CO2 hydration method				Bioorg Med Chem 18: 5498-503 (2010) Article DOI: 10.1016/j.bmc.2010.06.056 BindingDB Entry DOI: 10.7270/Q2CZ37B6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM29278 (CHEMBL310671 | Garantose | SAC | Saccharimide | Sa...) Show SMILES O=C1NS(=O)(=O)c2ccccc12 Show InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human wild type carbonic anhydrase 2 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2208-13 (2012) Article DOI: 10.1016/j.bmc.2012.02.029 BindingDB Entry DOI: 10.7270/Q21C1XC6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM50354233 (CHEMBL1836466) Show SMILES [O-][N+](=O)c1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1 Show InChI InChI=1S/C17H14N4O3S2/c22-15-18-16(25-10-12-6-2-1-3-7-12)20-17(19-15)26-11-13-8-4-5-9-14(13)21(23)24/h1-9H,10-11H2,(H,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354234 (CHEMBL1836469) Show SMILES Clc1ccccc1CSc1nc(SCc2ccccc2)nc(=O)[nH]1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-9-5-4-8-13(14)11-24-17-20-15(22)19-16(21-17)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate ...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair

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