Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'bielawska' and Initial = 'a'   

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))	BDBM50004346 (CHEMBL3237848) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004348 (CHEMBL3237850) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12 Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004350 (CHEMBL3237852) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,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	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT6 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569815 (CHEMBL4873623) Show SMILES CCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569820 (CHEMBL4860275) Show SMILES CCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004344 (CHEMBL3237857) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004336 (CHEMBL3237853) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12 Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013048 (CHEMBL3261396) Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]-raclopride from human D2L receptor expressed in HEK293 cells measured after 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569828 (CHEMBL4876727) Show SMILES CCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569821 (CHEMBL4858771) Show SMILES CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569819 (CHEMBL4846146) Show SMILES CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569819 (CHEMBL4846146) Show SMILES CC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT6 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093560 (CHEMBL3585752) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569814 (CHEMBL4855393) Show SMILES CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT6 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569814 (CHEMBL4855393) Show SMILES CC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569822 (CHEMBL4864863) Show SMILES CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569822 (CHEMBL4864863) Show SMILES CCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT6 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569813 (CHEMBL4847379) Show SMILES CCC(Oc1ccccc1)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569816 (CHEMBL4869411) Show SMILES CCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50516522 (CHEMBL4447416) Show SMILES CC(Oc1ccccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI InChI=1S/C16H21ClN6O/c1-11(24-13-6-4-3-5-12(13)17)14-19-15(18)21-16(20-14)23-9-7-22(2)8-10-23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					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	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093562 (CHEMBL3585750) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O3S/c1-5-35-22-11-10-20(36(33,34)31-14-12-30(4)13-15-31)16-21(22)24-26-23-18(3)29-32(25(23)28-27-24)19-8-6-17(2)7-9-19/h6-11,16H,5,12-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093561 (CHEMBL3585751) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C22H24N6O4S/c1-4-32-19-10-9-17(33(30,31)23-11-12-29)13-18(19)21-24-20-15(3)27-28(22(20)26-25-21)16-7-5-14(2)6-8-16/h5-10,13,23,29H,4,11-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569829 (CHEMBL4864448) Show SMILES CCCC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569827 (CHEMBL4860006) Show SMILES CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5-HT6 receptor expressed in HEK293 cells				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50569827 (CHEMBL4860006) Show SMILES CC(Oc1cc(Cl)cc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK293 cells incubated for 1 hr by microbeta counting method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112529 BindingDB Entry DOI: 10.7270/Q2S46WR1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093557 (CHEMBL3585755) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r| Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093558 (CHEMBL3585754) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@@H](C)CC |r| Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093563 (CHEMBL3585749) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093564 (CHEMBL3585748) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093559 (CHEMBL3585753) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@@H](C)O |r| Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50093554 (CHEMBL3585758) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C23H24ClN7O3S/c1-3-34-20-9-8-18(35(32,33)30-12-10-25-11-13-30)14-19(20)22-26-21-15(2)29-31(23(21)28-27-22)17-6-4-16(24)5-7-17/h4-9,14,25H,3,10-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 244 total )  |  Next  |  Last  >>

Jump to: