Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 7150   

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))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/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	25.0	n/a	26.6	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					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	40.8	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	53.0	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178048 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1ccc(OC)c(OC)c1 |t:13| Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	n/a	599	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178056 (1,2,4-tribromo-3-{[2-(2,5-dibromo-3,4-dimethoxyphe...) Show SMILES COc1c(Br)cc(C2CCCC2Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC Show InChI InChI=1S/C22H23Br5O4/c1-28-19-14(23)9-12(16(25)20(19)29-2)11-7-5-6-10(11)8-13-15(24)18(27)22(31-4)21(30-3)17(13)26/h9-11H,5-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	313	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178048 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1ccc(OC)c(OC)c1 |t:13| Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	366	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178053 (4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...) Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	421	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178058 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H28O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17,22-23H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	455	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178057 (1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...) Show SMILES COc1ccc(cc1OC)C1=NN(C(C)=O)C2(CCCC12)c1ccc(OC)c(OC)c1 |t:11| Show InChI InChI=1S/C24H28N2O5/c1-15(27)26-24(17-9-11-20(29-3)22(14-17)31-5)12-6-7-18(24)23(25-26)16-8-10-19(28-2)21(13-16)30-4/h8-11,13-14,18H,6-7,12H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	492	n/a	564	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178056 (1,2,4-tribromo-3-{[2-(2,5-dibromo-3,4-dimethoxyphe...) Show SMILES COc1c(Br)cc(C2CCCC2Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC Show InChI InChI=1S/C22H23Br5O4/c1-28-19-14(23)9-12(16(25)20(19)29-2)11-7-5-6-10(11)8-13-15(24)18(27)22(31-4)21(30-3)17(13)26/h9-11H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178049 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(=O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16| Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17H,5,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	561	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178055 ([2-(4,5-dimethoxy-2-nitrophenyl)cyclopent-1-en-1-y...) Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13| Show InChI InChI=1S/C22H23NO7/c1-27-18-9-8-13(10-19(18)28-2)22(24)15-7-5-6-14(15)16-11-20(29-3)21(30-4)12-17(16)23(25)26/h8-12H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	573	n/a	854	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178059 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	588	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178057 (1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...) Show SMILES COc1ccc(cc1OC)C1=NN(C(C)=O)C2(CCCC12)c1ccc(OC)c(OC)c1 |t:11| Show InChI InChI=1S/C24H28N2O5/c1-15(27)26-24(17-9-11-20(29-3)22(14-17)31-5)12-6-7-18(24)23(25-26)16-8-10-19(28-2)21(13-16)30-4/h8-11,13-14,18H,6-7,12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	606	n/a	441	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178052 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C1CCCC1C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	610	n/a	472	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178059 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	616	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178050 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16| Show InChI InChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	656	n/a	602	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178054 ((4,5-dimethoxy-2-nitrophenyl)[2-(4,5-dimethoxy-2-n...) Show SMILES COc1cc(C(=O)C2=C(CCC2)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O |t:7| Show InChI InChI=1S/C22H22N2O9/c1-30-18-8-14(16(23(26)27)10-20(18)32-3)12-6-5-7-13(12)22(25)15-9-19(31-2)21(33-4)11-17(15)24(28)29/h8-11H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	690	n/a	648	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178049 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(=O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16| Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17H,5,7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	735	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178046 (1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol (9)) Show SMILES COc1ccc(cc1OC)C(O)CCCCC(O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H30O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14,17-18,23-24H,5-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	779	n/a	625	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178045 (1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-dione (8)) Show SMILES COc1ccc(cc1OC)C(=O)CCCCC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H26O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14H,5-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	841	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178054 ((4,5-dimethoxy-2-nitrophenyl)[2-(4,5-dimethoxy-2-n...) Show SMILES COc1cc(C(=O)C2=C(CCC2)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O |t:7| Show InChI InChI=1S/C22H22N2O9/c1-30-18-8-14(16(23(26)27)10-20(18)32-3)12-6-5-7-13(12)22(25)15-9-19(31-2)21(33-4)11-17(15)24(28)29/h8-11H,5-7H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	849	n/a	527	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178045 (1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-dione (8)) Show SMILES COc1ccc(cc1OC)C(=O)CCCCC(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H26O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	903	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178053 (4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...) Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	n/a	504	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178047 (1,6-bis(4,5-dimethoxy-2-nitrophenyl)hexane-1,6-dio...) Show SMILES COc1cc(C(=O)CCCCC(=O)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C22H24N2O10/c1-31-19-9-13(15(23(27)28)11-21(19)33-3)17(25)7-5-6-8-18(26)14-10-20(32-2)22(34-4)12-16(14)24(29)30/h9-12H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	543	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178047 (1,6-bis(4,5-dimethoxy-2-nitrophenyl)hexane-1,6-dio...) Show SMILES COc1cc(C(=O)CCCCC(=O)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C22H24N2O10/c1-31-19-9-13(15(23(27)28)11-21(19)33-3)17(25)7-5-6-8-18(26)14-10-20(32-2)22(34-4)12-16(14)24(29)30/h9-12H,5-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.34E+3	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM178051 (1,2-phenylene diacetate (15)) Show SMILES CC(=O)Oc1ccccc1OC(C)=O Show InChI InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.54E+3	n/a	815	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178050 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16| Show InChI InChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.54E+3	n/a	518	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178058 ((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C(O)C1CCCC1c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H28O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17,22-23H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	506	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178055 ([2-(4,5-dimethoxy-2-nitrophenyl)cyclopent-1-en-1-y...) Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13| Show InChI InChI=1S/C22H23NO7/c1-27-18-9-8-13(10-19(18)28-2)22(24)15-7-5-6-14(15)16-11-20(29-3)21(30-4)12-17(16)23(25)26/h8-12H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.58E+3	n/a	578	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/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	DrugBank Article PubMed	1.69E+3	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178052 ((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...) Show SMILES COc1ccc(cc1OC)C1CCCC1C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.79E+3	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178051 (1,2-phenylene diacetate (15)) Show SMILES CC(=O)Oc1ccccc1OC(C)=O Show InChI InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.81E+3	n/a	736	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM178046 (1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol (9)) Show SMILES COc1ccc(cc1OC)C(O)CCCCC(O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H30O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14,17-18,23-24H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	n/a	697	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University					Assay Description CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...				Chem Biol Drug Des 87: 594-607 (2016) Article DOI: 10.1111/cbdd.12695 BindingDB Entry DOI: 10.7270/Q20R9N5Q
					More data for this Ligand-Target Pair