Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'aday' and Initial = 'b'   

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))	BDBM50180265 (CHEMBL3814523) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Cl)cc2)C(=O)CCC3)s1 |c:19,22| Show InChI InChI=1S/C28H24ClN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180247 (CHEMBL3814242) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccccc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H33N5O5S2/c1-31(2)14-21-26(23(38)16-31)25(18-8-6-5-7-9-18)27-22(15-32(3,4)17-24(27)39)37(21)20-12-10-19(11-13-20)28(40)34-29-35-36-30(43-29)44(33,41)42/h5-13,25H,14-17H2,1-4H3,(H2,33,41,42)(H,34,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180249 (CHEMBL3814487) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-13-12-8(20-9)11-7(15)5-1-3-6(4-2-5)14(16)17/h1-4H,(H2,10,18,19)(H,11,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180263 (CHEMBL3814420) Show SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:18,t:9| Show InChI InChI=1S/C29H27N5O5S2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)19-14-12-18(13-15-19)27(37)31-28-32-33-29(40-28)41(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180245 (CHEMBL3814808) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)C#N)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C33H32N6O5S2/c1-32(2)13-22-27(24(40)15-32)26(19-7-5-18(17-34)6-8-19)28-23(14-33(3,4)16-25(28)41)39(22)21-11-9-20(10-12-21)29(42)36-30-37-38-31(45-30)46(35,43)44/h5-12,26H,13-16H2,1-4H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180250 (CHEMBL3814927) Show SMILES CSc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:19,t:10| Show InChI InChI=1S/C29H27N5O5S3/c1-40-19-14-10-16(11-15-19)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)18-12-8-17(9-13-18)27(37)31-28-32-33-29(41-28)42(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (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 PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180244 (CHEMBL3814117) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(F)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32FN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180264 (CHEMBL3814976) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Br)cc2)C(=O)CCC3)s1 |c:19,22| Show InChI InChI=1S/C28H24BrN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180246 (CHEMBL3814309) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)C#N)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C33H32N6O5S2/c1-32(2)13-22-27(24(40)15-32)26(20-7-5-6-18(12-20)17-34)28-23(14-33(3,4)16-25(28)41)39(22)21-10-8-19(9-11-21)29(42)36-30-37-38-31(45-30)46(35,43)44/h5-12,26H,13-16H2,1-4H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180249 (CHEMBL3814487) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-13-12-8(20-9)11-7(15)5-1-3-6(4-2-5)14(16)17/h1-4H,(H2,10,18,19)(H,11,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180243 (CHEMBL3815152) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(Cl)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32ClN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180267 (CHEMBL3814163) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cc(Br)ccc2O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32BrN5O6S2/c1-31(2)12-20-26(23(40)14-31)25(19-11-17(33)7-10-22(19)39)27-21(13-32(3,4)15-24(27)41)38(20)18-8-5-16(6-9-18)28(42)35-29-36-37-30(45-29)46(34,43)44/h5-11,25,39H,12-15H2,1-4H3,(H2,34,43,44)(H,35,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180239 (CHEMBL3814664) Show SMILES Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:20,t:9| Show InChI InChI=1S/C33H35N5O5S2/c1-18-6-8-19(9-7-18)26-27-22(14-32(2,3)16-24(27)39)38(23-15-33(4,5)17-25(40)28(23)26)21-12-10-20(11-13-21)29(41)35-30-36-37-31(44-30)45(34,42)43/h6-13,26H,14-17H2,1-5H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180241 (CHEMBL3813758) Show SMILES COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:21,t:10| Show InChI InChI=1S/C33H35N5O6S2/c1-32(2)14-22-27(24(39)16-32)26(18-8-12-21(44-5)13-9-18)28-23(15-33(3,4)17-25(28)40)38(22)20-10-6-19(7-11-20)29(41)35-30-36-37-31(45-30)46(34,42)43/h6-13,26H,14-17H2,1-5H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180238 (CHEMBL3814802) Show SMILES CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:21,t:10| Show InChI InChI=1S/C34H37N5O5S2/c1-6-19-7-9-20(10-8-19)27-28-23(15-33(2,3)17-25(28)40)39(24-16-34(4,5)18-26(41)29(24)27)22-13-11-21(12-14-22)30(42)36-31-37-38-32(45-31)46(35,43)44/h7-14,27H,6,15-18H2,1-5H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180247 (CHEMBL3814242) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccccc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H33N5O5S2/c1-31(2)14-21-26(23(38)16-31)25(18-8-6-5-7-9-18)27-22(15-32(3,4)17-24(27)39)37(21)20-12-10-19(11-13-20)28(40)34-29-35-36-30(43-29)44(33,41)42/h5-13,25H,14-17H2,1-4H3,(H2,33,41,42)(H,34,35,40)	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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					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	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180244 (CHEMBL3814117) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(F)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32FN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180240 (CHEMBL3814887) Show SMILES CSc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:21,t:10| Show InChI InChI=1S/C33H35N5O5S3/c1-32(2)14-22-27(24(39)16-32)26(18-8-12-21(44-5)13-9-18)28-23(15-33(3,4)17-25(28)40)38(22)20-10-6-19(7-11-20)29(41)35-30-36-37-31(45-30)46(34,42)43/h6-13,26H,14-17H2,1-5H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180263 (CHEMBL3814420) Show SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:18,t:9| Show InChI InChI=1S/C29H27N5O5S2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)19-14-12-18(13-15-19)27(37)31-28-32-33-29(40-28)41(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180244 (CHEMBL3814117) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(F)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32FN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180266 (CHEMBL3814942) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(Cl)cc2Cl)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H31Cl2N5O5S2/c1-31(2)12-21-26(23(40)14-31)25(19-10-7-17(33)11-20(19)34)27-22(13-32(3,4)15-24(27)41)39(21)18-8-5-16(6-9-18)28(42)36-29-37-38-30(45-29)46(35,43)44/h5-11,25H,12-15H2,1-4H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180236 (CHEMBL3814449) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)C2C3=C(CC(C)(C)CC3=O)N(C3=C2C(=O)CC(C)(C)C3)c2ccc(cc2)C(=O)Nc2nnc(s2)S(N)(=O)=O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11,34,t:23| Show InChI InChI=1S/C58H60N10O10S4/c1-55(2)21-35-45(39(69)25-55)43(46-36(22-56(3,4)26-40(46)70)67(35)33-16-12-29(13-17-33)49(73)61-51-63-65-53(79-51)81(59,75)76)31-10-9-11-32(20-31)44-47-37(23-57(5,6)27-41(47)71)68(38-24-58(7,8)28-42(72)48(38)44)34-18-14-30(15-19-34)50(74)62-52-64-66-54(80-52)82(60,77)78/h9-20,43-44H,21-28H2,1-8H3,(H2,59,75,76)(H2,60,77,78)(H,61,63,73)(H,62,64,74)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180250 (CHEMBL3814927) Show SMILES CSc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:19,t:10| Show InChI InChI=1S/C29H27N5O5S3/c1-40-19-14-10-16(11-15-19)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)18-12-8-17(9-13-18)27(37)31-28-32-33-29(41-28)42(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180265 (CHEMBL3814523) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Cl)cc2)C(=O)CCC3)s1 |c:19,22| Show InChI InChI=1S/C28H24ClN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli incubated for 15 mins prior to testing by stopped flow CO2 hydrase...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180235 (CHEMBL3814291) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)C2C3=C(CC(C)(C)CC3=O)N(C3=C2C(=O)CC(C)(C)C3)c2ccc(cc2)C(=O)Nc2nnc(s2)S(N)(=O)=O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11,34,t:23| Show InChI InChI=1S/C58H60N10O10S4/c1-55(2)21-35-45(39(69)25-55)43(46-36(22-56(3,4)26-40(46)70)67(35)33-17-13-31(14-18-33)49(73)61-51-63-65-53(79-51)81(59,75)76)29-9-11-30(12-10-29)44-47-37(23-57(5,6)27-41(47)71)68(38-24-58(7,8)28-42(72)48(38)44)34-19-15-32(16-20-34)50(74)62-52-64-66-54(80-52)82(60,77)78/h9-20,43-44H,21-28H2,1-8H3,(H2,59,75,76)(H2,60,77,78)(H,61,63,73)(H,62,64,74)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180236 (CHEMBL3814449) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)C2C3=C(CC(C)(C)CC3=O)N(C3=C2C(=O)CC(C)(C)C3)c2ccc(cc2)C(=O)Nc2nnc(s2)S(N)(=O)=O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11,34,t:23| Show InChI InChI=1S/C58H60N10O10S4/c1-55(2)21-35-45(39(69)25-55)43(46-36(22-56(3,4)26-40(46)70)67(35)33-16-12-29(13-17-33)49(73)61-51-63-65-53(79-51)81(59,75)76)31-10-9-11-32(20-31)44-47-37(23-57(5,6)27-41(47)71)68(38-24-58(7,8)28-42(72)48(38)44)34-18-14-30(15-19-34)50(74)62-52-64-66-54(80-52)82(60,77)78/h9-20,43-44H,21-28H2,1-8H3,(H2,59,75,76)(H2,60,77,78)(H,61,63,73)(H,62,64,74)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180241 (CHEMBL3813758) Show SMILES COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:21,t:10| Show InChI InChI=1S/C33H35N5O6S2/c1-32(2)14-22-27(24(39)16-32)26(18-8-12-21(44-5)13-9-18)28-23(15-33(3,4)17-25(28)40)38(22)20-10-6-19(7-11-20)29(41)35-30-36-37-31(45-30)46(34,42)43/h6-13,26H,14-17H2,1-5H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stopped...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180266 (CHEMBL3814942) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(Cl)cc2Cl)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H31Cl2N5O5S2/c1-31(2)12-21-26(23(40)14-31)25(19-10-7-17(33)11-20(19)34)27-22(13-32(3,4)15-24(27)41)39(21)18-8-5-16(6-9-18)28(42)36-29-37-38-30(45-29)46(35,43)44/h5-11,25H,12-15H2,1-4H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180265 (CHEMBL3814523) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Cl)cc2)C(=O)CCC3)s1 |c:19,22| Show InChI InChI=1S/C28H24ClN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50125572 (CHEMBL3623634) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(N)c2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C29H33N3O4S/c1-28(2)13-21-26(23(33)15-28)25(17-6-5-7-18(30)12-17)27-22(14-29(3,4)16-24(27)34)32(21)19-8-10-20(11-9-19)37(31,35)36/h5-12,25H,13-16,30H2,1-4H3,(H2,31,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 catalytic domain expressed in Escherichia coli incubated for 15 mins prior to testing by stoppe...				Bioorg Med Chem 23: 6573-80 (2015) Article DOI: 10.1016/j.bmc.2015.09.022 BindingDB Entry DOI: 10.7270/Q21Z4668
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180267 (CHEMBL3814163) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cc(Br)ccc2O)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32BrN5O6S2/c1-31(2)12-20-26(23(40)14-31)25(19-11-17(33)7-10-22(19)39)27-21(13-32(3,4)15-24(27)41)38(20)18-8-5-16(6-9-18)28(42)35-29-36-37-30(45-29)46(34,43)44/h5-11,25,39H,12-15H2,1-4H3,(H2,34,43,44)(H,35,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50180249 (CHEMBL3814487) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C9H7N5O5S2/c10-21(18,19)9-13-12-8(20-9)11-7(15)5-1-3-6(4-2-5)14(16)17/h1-4H,(H2,10,18,19)(H,11,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB 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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180237 (CHEMBL3814718) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2ccccc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C38H37N5O5S2/c1-37(2)18-27-32(29(44)20-37)31(24-12-10-23(11-13-24)22-8-6-5-7-9-22)33-28(19-38(3,4)21-30(33)45)43(27)26-16-14-25(15-17-26)34(46)40-35-41-42-36(49-35)50(39,47)48/h5-17,31H,18-21H2,1-4H3,(H2,39,47,48)(H,40,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180247 (CHEMBL3814242) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccccc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H33N5O5S2/c1-31(2)14-21-26(23(38)16-31)25(18-8-6-5-7-9-18)27-22(15-32(3,4)17-24(27)39)37(21)20-12-10-19(11-13-20)28(40)34-29-35-36-30(43-29)44(33,41)42/h5-13,25H,14-17H2,1-4H3,(H2,33,41,42)(H,34,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180264 (CHEMBL3814976) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Br)cc2)C(=O)CCC3)s1 |c:19,22| Show InChI InChI=1S/C28H24BrN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180237 (CHEMBL3814718) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2ccccc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C38H37N5O5S2/c1-37(2)18-27-32(29(44)20-37)31(24-12-10-23(11-13-24)22-8-6-5-7-9-22)33-28(19-38(3,4)21-30(33)45)43(27)26-16-14-25(15-17-26)34(46)40-35-41-42-36(49-35)50(39,47)48/h5-17,31H,18-21H2,1-4H3,(H2,39,47,48)(H,40,41,46)	PDB MMDB 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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180245 (CHEMBL3814808) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)C#N)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C33H32N6O5S2/c1-32(2)13-22-27(24(40)15-32)26(19-7-5-18(17-34)6-8-19)28-23(14-33(3,4)16-25(28)41)39(22)21-11-9-20(10-12-21)29(42)36-30-37-38-31(45-30)46(35,43)44/h5-12,26H,13-16H2,1-4H3,(H2,35,43,44)(H,36,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180263 (CHEMBL3814420) Show SMILES Cc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:18,t:9| Show InChI InChI=1S/C29H27N5O5S2/c1-16-8-10-17(11-9-16)24-25-20(4-2-6-22(25)35)34(21-5-3-7-23(36)26(21)24)19-14-12-18(13-15-19)27(37)31-28-32-33-29(40-28)41(30,38)39/h8-15,24H,2-7H2,1H3,(H2,30,38,39)(H,31,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180243 (CHEMBL3815152) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(Cl)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32ClN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180241 (CHEMBL3813758) Show SMILES COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:21,t:10| Show InChI InChI=1S/C33H35N5O6S2/c1-32(2)14-22-27(24(39)16-32)26(18-8-12-21(44-5)13-9-18)28-23(15-33(3,4)17-25(28)40)38(22)20-10-6-19(7-11-20)29(41)35-30-36-37-31(45-30)46(34,42)43/h6-13,26H,14-17H2,1-5H3,(H2,34,42,43)(H,35,36,41)	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
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50180262 (CHEMBL3815009) Show SMILES CCc1ccc(cc1)C1C2=C(CCCC2=O)N(C2=C1C(=O)CCC2)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:19,t:10| Show InChI InChI=1S/C30H29N5O5S2/c1-2-17-9-11-18(12-10-17)25-26-21(5-3-7-23(26)36)35(22-6-4-8-24(37)27(22)25)20-15-13-19(14-16-20)28(38)32-29-33-34-30(41-29)42(31,39)40/h9-16,25H,2-8H2,1H3,(H2,31,39,40)(H,32,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180242 (CHEMBL3814764) Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(Br)cc2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O |c:6,11| Show InChI InChI=1S/C32H32BrN5O5S2/c1-31(2)13-21-26(23(39)15-31)25(17-5-9-19(33)10-6-17)27-22(14-32(3,4)16-24(27)40)38(21)20-11-7-18(8-12-20)28(41)35-29-36-37-30(44-29)45(34,42)43/h5-12,25H,13-16H2,1-4H3,(H2,34,42,43)(H,35,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) Article DOI: 10.1016/j.bmc.2016.05.064 BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair

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