Compile Data Set for Download or QSAR

Found 761 hits Enz. Inhib. hit(s) with all data for entry = 50006842   

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 5B, mitochondrial (Homo sapiens (Human))	BDBM50503775 (CHEMBL4439909) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-3-10(4-8(2)12(7)21(14,19)20)15-6-9(13(17)18)5-11(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503776 (CHEMBL4560953) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H21N5O6S/c1-12-7-17(8-13(2)19(12)32(21,30)31)24-11-15(9-18(24)26)20(27)23-22-10-14-3-5-16(6-4-14)25(28)29/h3-8,10,15H,9,11H2,1-2H3,(H,23,27)(H2,21,30,31)/b22-10+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0330	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503777 (CHEMBL4473602) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C14H17ClN2O5S/c1-7-4-10(12(15)8(2)13(7)23(16,20)21)17-6-9(5-11(17)18)14(19)22-3/h4,9H,5-6H2,1-3H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503778 (CHEMBL4443078) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c1-12-7-17(8-13(2)19(12)30(22,28)29)25-11-15(9-18(25)26)20(27)24-23-10-14-3-5-16(21)6-4-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503779 (CHEMBL4449430) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN Show InChI InChI=1S/C13H18N4O4S/c1-7-3-10(4-8(2)12(7)22(15,20)21)17-6-9(5-11(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503780 (CHEMBL4475315) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(Br)cc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20BrClN4O4S/c1-11-7-16(18(22)12(2)19(11)31(23,29)30)26-10-14(8-17(26)27)20(28)25-24-9-13-3-5-15(21)6-4-13/h3-7,9,14H,8,10H2,1-2H3,(H,25,28)(H2,23,29,30)/b24-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503781 (CHEMBL4464359) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)NNC(=S)Nc2ccccc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H22ClN5O4S2/c1-11-8-15(17(21)12(2)18(11)32(22,29)30)26-10-13(9-16(26)27)19(28)24-25-20(31)23-14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3,(H,24,28)(H2,22,29,30)(H2,23,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0180	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50503782 (CHEMBL4454574) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(=O)NN)S(N)(=O)=O Show InChI InChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503784 (CHEMBL4539340) Show SMILES Cc1cc(N2CC(CC2=O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O3S2/c1-11-8-15(17(21)12(2)18(11)31(22,28)29)25-10-13(9-16(25)27)19-23-24-20(30)26(19)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3,(H,24,30)(H2,22,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503785 (CHEMBL4448119) Show SMILES Cc1cc(NC(=O)C2CN(C(=O)C2)c2ccccc2)cc(C)c1S(N)(=O)=O Show InChI InChI=1S/C19H21N3O4S/c1-12-8-15(9-13(2)18(12)27(20,25)26)21-19(24)14-10-17(23)22(11-14)16-6-4-3-5-7-16/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial (Homo sapiens (Human))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0660	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503788 (CHEMBL4555586) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O)S(N)(=O)=O Show InChI InChI=1S/C20H21N5O6S/c1-12-8-18(32(21,30)31)13(2)7-17(12)24-11-15(9-19(24)26)20(27)23-22-10-14-3-5-16(6-4-14)25(28)29/h3-8,10,15H,9,11H2,1-2H3,(H,23,27)(H2,21,30,31)/b22-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA3 (4 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic d...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503790 (CHEMBL4458989) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)NN)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H17ClN4O4S/c1-6-3-9(11(14)7(2)12(6)23(16,21)22)18-5-8(4-10(18)19)13(20)17-15/h3,8H,4-5,15H2,1-2H3,(H,17,20)(H2,16,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0630	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 13 (Homo sapiens (Human))	BDBM50503794 (CHEMBL4577083) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-4-11(21(14,19)20)8(2)3-10(7)15-6-9(13(17)18)5-12(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50503782 (CHEMBL4454574) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(=O)NN)S(N)(=O)=O Show InChI InChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant N-terminal His6x-tagged human CA14 (20 to 280 residues) catalytic domain expressed in Escherichia coli Rosetta 2 (DE3...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503795 (CHEMBL4463683) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H21ClN4O4S/c1-12-8-16(18(21)13(2)19(12)30(22,28)29)25-11-15(9-17(25)26)20(27)24-23-10-14-6-4-3-5-7-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50503797 (CHEMBL4516858) Show SMILES Cc1cc(C)n(n1)C(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C18H21ClN4O4S/c1-9-5-14(16(19)12(4)17(9)28(20,26)27)22-8-13(7-15(22)24)18(25)23-11(3)6-10(2)21-23/h5-6,13H,7-8H2,1-4H3,(H2,20,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50503798 (CHEMBL4517728) Show SMILES Cc1cc(NCC(CC(O)=O)c2n[nH]c(=S)n2-c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H22ClN5O4S2/c1-11-8-15(17(21)12(2)18(11)32(22,29)30)23-10-13(9-16(27)28)19-24-25-20(31)26(19)14-6-4-3-5-7-14/h3-8,13,23H,9-10H2,1-2H3,(H,25,31)(H,27,28)(H2,22,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503799 (CHEMBL4474833) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C20H22N4O4S/c1-13-8-17(9-14(2)19(13)29(21,27)28)24-12-16(10-18(24)25)20(26)23-22-11-15-6-4-3-5-7-15/h3-9,11,16H,10,12H2,1-2H3,(H,23,26)(H2,21,27,28)/b22-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503800 (CHEMBL4558235) Show SMILES COc1ccc(\C=N\NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C21H24N4O5S/c1-13-8-17(9-14(2)20(13)31(22,28)29)25-12-16(10-19(25)26)21(27)24-23-11-15-4-6-18(30-3)7-5-15/h4-9,11,16H,10,12H2,1-3H3,(H,24,27)(H2,22,28,29)/b23-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503783 (CHEMBL4590754) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)NN1CC(CC1=O)C(O)=O Show InChI InChI=1S/C18H22N4O7S/c1-9-3-13(4-10(2)16(9)30(19,28)29)21-7-11(5-14(21)23)17(25)20-22-8-12(18(26)27)6-15(22)24/h3-4,11-12H,5-8H2,1-2H3,(H,20,25)(H,26,27)(H2,19,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503782 (CHEMBL4454574) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(=O)NN)S(N)(=O)=O Show InChI InChI=1S/C13H18N4O4S/c1-7-4-11(22(15,20)21)8(2)3-10(7)17-6-9(5-12(17)18)13(19)16-14/h3-4,9H,5-6,14H2,1-2H3,(H,16,19)(H2,15,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503787 (CHEMBL4465027) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(cc1C)S(N)(=O)=O Show InChI InChI=1S/C14H18N2O5S/c1-8-5-12(22(15,19)20)9(2)4-11(8)16-7-10(6-13(16)17)14(18)21-3/h4-5,10H,6-7H2,1-3H3,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50503792 (CHEMBL4593434) Show SMILES NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H14N4O4S/c12-14-11(17)7-5-10(16)15(6-7)8-1-3-9(4-2-8)20(13,18)19/h1-4,7H,5-6,12H2,(H,14,17)(H2,13,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50503795 (CHEMBL4463683) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccccc2)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H21ClN4O4S/c1-12-8-16(18(21)13(2)19(12)30(22,28)29)25-11-15(9-17(25)26)20(27)24-23-10-14-6-4-3-5-7-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0350	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0950	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503794 (CHEMBL4577083) Show SMILES Cc1cc(c(C)cc1N1CC(CC1=O)C(O)=O)S(N)(=O)=O Show InChI InChI=1S/C13H16N2O5S/c1-7-4-11(21(14,19)20)8(2)3-10(7)15-6-9(13(17)18)5-12(15)16/h3-4,9H,5-6H2,1-2H3,(H,17,18)(H2,14,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50503801 (CHEMBL4446249) Show SMILES NS(=O)(=O)c1ccc(cc1)N1CC(CC1=O)C(O)=O Show InChI InChI=1S/C11H12N2O5S/c12-19(17,18)9-3-1-8(2-4-9)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)(H2,12,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503777 (CHEMBL4473602) Show SMILES COC(=O)C1CN(C(=O)C1)c1cc(C)c(c(C)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C14H17ClN2O5S/c1-7-4-10(12(15)8(2)13(7)23(16,20)21)17-6-9(5-11(17)18)14(19)22-3/h4,9H,5-6H2,1-3H3,(H2,16,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50503778 (CHEMBL4443078) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)C(=O)N\N=C\c1ccc(Br)cc1 Show InChI InChI=1S/C20H21BrN4O4S/c1-12-7-17(8-13(2)19(12)30(22,28)29)25-11-15(9-18(25)26)20(27)24-23-10-14-3-5-16(21)6-4-14/h3-8,10,15H,9,11H2,1-2H3,(H,24,27)(H2,22,28,29)/b23-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50503789 (CHEMBL4452277) Show SMILES Cc1cc(N2CC(CC2=O)C(O)=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C13H15ClN2O5S/c1-6-3-9(11(14)7(2)12(6)22(15,20)21)16-5-8(13(18)19)4-10(16)17/h3,8H,4-5H2,1-2H3,(H,18,19)(H2,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503786 (CHEMBL4555622) Show SMILES Cc1cc(N2CC(CC2=O)C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c(Cl)c(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H20ClN5O6S/c1-11-7-16(18(21)12(2)19(11)33(22,31)32)25-10-14(8-17(25)27)20(28)24-23-9-13-3-5-15(6-4-13)26(29)30/h3-7,9,14H,8,10H2,1-2H3,(H,24,28)(H2,22,31,32)/b23-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503802 (CHEMBL4570253) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)o1 Show InChI InChI=1S/C14H16N4O4S2/c1-7-3-10(4-8(2)12(7)24(15,20)21)18-6-9(5-11(18)19)13-16-17-14(23)22-13/h3-4,9H,5-6H2,1-2H3,(H,17,23)(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503803 (CHEMBL4465434) Show SMILES Cc1cc(NCC(CC(O)=O)c2n[nH]c(=S)n2-c2ccccc2)cc(C)c1S(N)(=O)=O Show InChI InChI=1S/C20H23N5O4S2/c1-12-8-15(9-13(2)18(12)31(21,28)29)22-11-14(10-17(26)27)19-23-24-20(30)25(19)16-6-4-3-5-7-16/h3-9,14,22H,10-11H2,1-2H3,(H,24,30)(H,26,27)(H2,21,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50503791 (CHEMBL4570038) Show SMILES NS(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H16BrN3O4S/c18-12-1-5-14(6-2-12)21-10-11(9-16(21)22)17(23)20-13-3-7-15(8-4-13)26(19,24)25/h1-8,11H,9-10H2,(H,20,23)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011 BindingDB Entry DOI: 10.7270/Q25M68ZH
					More data for this Ligand-Target Pair

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