Compile Data Set for Download or QSAR

Found 215 hits Enz. Inhib. hit(s) with all data for entry = 8407   

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 1 (Homo sapiens (Human))	BDBM50163862 (4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.35E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329832 (5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246549 (4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	10	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246550 (2-Chloro-4-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-16(12(17)8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)	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	5.88	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246551 (3-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-7-2-3-8-15(14)19(11)10-16(20)12-5-4-6-13(9-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	9.09E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329831 (2-Chloro-5-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-12(17)16(8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246552 (4-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-7-5-11(6-8-12)15(21)9-19-14-4-2-1-3-13(14)18-16(19)10-20/h1-8,20H,9-10H2,(H2,17,22,23)	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	8.33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246553 (2-Chloro-4-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-7-10(5-6-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	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	10	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246575 (3-{[2-(Hydroxymethyl)-1H-benzimidazol-1-yl]acetyl}...) Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H15N3O4S/c17-24(22,23)12-5-3-4-11(8-12)15(21)9-19-14-7-2-1-6-13(14)18-16(19)10-20/h1-8,20H,9-10H2,(H2,17,22,23)	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	5.00E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329830 (2-Chloro-5-{[2-(hydroxymethyl)-1H-benzimidazol-1-y...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CO)nc2ccccc12 Show InChI InChI=1S/C16H14ClN3O4S/c17-11-6-5-10(7-15(11)25(18,23)24)14(22)8-20-13-4-2-1-3-12(13)19-16(20)9-21/h1-7,21H,8-9H2,(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.14E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246554 (4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)18-12-10-17(11-13-18)21(26)15-25-20-9-5-4-8-19(20)24-22(25)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H2,23,27,28)	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	143	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246555 (4-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chloro...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H18ClN3O3S/c23-17-13-16(10-11-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)	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	8.33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246556 (3-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)18-10-6-9-17(14-18)21(26)15-25-20-12-5-4-11-19(20)24-22(25)13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H2,23,27,28)	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	2.50E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329822 (5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chloro...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(Cc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C22H18ClN3O3S/c23-17-11-10-16(13-21(17)30(24,28)29)20(27)14-26-19-9-5-4-8-18(19)25-22(26)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2,(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.33E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246557 (4-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesul...) Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O3S/c1-2-17-19-14-5-3-4-6-15(14)20(17)11-16(21)12-7-9-13(10-8-12)24(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)	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	8.33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246558 (2-Chloro-4-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]b...) Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-16(12(18)9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)	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	4.76	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246559 (3-[(2-Ethyl-1H-benzimidazol-1-yl)acetyl]benzenesul...) Show SMILES CCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O3S/c1-2-17-19-14-8-3-4-9-15(14)20(17)11-16(21)12-6-5-7-13(10-12)24(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)	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	4.76E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329823 (2-Chloro-5-[(2-ethyl-1H-benzimidazol-1-yl)acetyl]b...) Show SMILES CCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C17H16ClN3O3S/c1-2-17-20-13-5-3-4-6-14(13)21(17)10-15(22)11-7-8-12(18)16(9-11)25(19,23)24/h3-9H,2,10H2,1H3,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.14E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246560 (4-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H19N3O3S/c1-2-5-18-20-15-6-3-4-7-16(15)21(18)12-17(22)13-8-10-14(11-9-13)25(19,23)24/h3-4,6-11H,2,5,12H2,1H3,(H2,19,23,24)	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	7.14	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246561 (2-Chloro-4-[(2-propyl-1H-benzimidazol-1-yl)acetyl]...) Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C18H18ClN3O3S/c1-2-5-18-21-14-6-3-4-7-15(14)22(18)11-16(23)12-8-9-17(13(19)10-12)26(20,24)25/h3-4,6-10H,2,5,11H2,1H3,(H2,20,24,25)	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	2.86	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246562 (3-[(2-Propyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES CCCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H19N3O3S/c1-2-6-18-20-15-9-3-4-10-16(15)21(18)12-17(22)13-7-5-8-14(11-13)25(19,23)24/h3-5,7-11H,2,6,12H2,1H3,(H2,19,23,24)	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	1.00E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329824 (2-Chloro-5-[(2-propyl-1H-benzimidazol-1-yl)acetyl]...) Show SMILES CCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C18H18ClN3O3S/c1-2-5-18-21-14-6-3-4-7-15(14)22(18)11-16(23)12-8-9-13(19)17(10-12)26(20,24)25/h3-4,6-10H,2,5,11H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246563 (4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesul...) Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H21N3O3S/c1-2-3-8-19-21-16-6-4-5-7-17(16)22(19)13-18(23)14-9-11-15(12-10-14)26(20,24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H2,20,24,25)	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	11.1	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246564 (4-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorob...) Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-18(14(20)11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)	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	3.33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246565 (3-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]benzenesul...) Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H21N3O3S/c1-2-3-11-19-21-16-9-4-5-10-17(16)22(19)13-18(23)14-7-6-8-15(12-14)26(20,24)25/h4-10,12H,2-3,11,13H2,1H3,(H2,20,24,25)	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	667	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329825 (5-[(2-Butyl-1H-benzimidazol-1-yl)acetyl]-2-chlorob...) Show SMILES CCCCc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C19H20ClN3O3S/c1-2-3-8-19-22-15-6-4-5-7-16(15)23(19)12-17(24)13-9-10-14(20)18(11-13)27(21,25)26/h4-7,9-11H,2-3,8,12H2,1H3,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246566 (4-[(2-Isopropyl-1H-benzimidazol-1-yl)acetyl]benzen...) Show SMILES CC(C)c1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H19N3O3S/c1-12(2)18-20-15-5-3-4-6-16(15)21(18)11-17(22)13-7-9-14(10-8-13)25(19,23)24/h3-10,12H,11H2,1-2H3,(H2,19,23,24)	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	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246567 (2-Chloro-4-[(2-isopropyl-1H-benzimidazol-1-yl)acet...) Show SMILES CC(C)c1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C18H18ClN3O3S/c1-11(2)18-21-14-5-3-4-6-15(14)22(18)10-16(23)12-7-8-17(13(19)9-12)26(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)	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	5	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246568 (3-[(2-Isopropyl-1H-benzimidazol-1-yl)acetyl]benzen...) Show SMILES CC(C)c1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C18H19N3O3S/c1-12(2)18-20-15-8-3-4-9-16(15)21(18)11-17(22)13-6-5-7-14(10-13)25(19,23)24/h3-10,12H,11H2,1-2H3,(H2,19,23,24)	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	2.50E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329826 (2-Chloro-5-[(2-isopropyl-1H-benzimidazol-1-yl)acet...) Show SMILES CC(C)c1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C18H18ClN3O3S/c1-11(2)18-21-14-5-3-4-6-15(14)22(18)10-16(23)12-7-8-13(19)17(9-12)26(20,24)25/h3-9,11H,10H2,1-2H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.54E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246569 (4-[(2-Isobutyl-1H-benzimidazol-1-yl)acetyl]benzene...) Show SMILES CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H21N3O3S/c1-13(2)11-19-21-16-5-3-4-6-17(16)22(19)12-18(23)14-7-9-15(10-8-14)26(20,24)25/h3-10,13H,11-12H2,1-2H3,(H2,20,24,25)	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	8.33	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246570 (2-Chloro-4-[(2-isobutyl-1H-benzimidazol-1-yl)acety...) Show SMILES CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C19H20ClN3O3S/c1-12(2)9-19-22-15-5-3-4-6-16(15)23(19)11-17(24)13-7-8-18(14(20)10-13)27(21,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25,26)	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	6.67	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246571 (3-[(2-Isobutyl-1H-benzimidazol-1-yl)acetyl]benzene...) Show SMILES CC(C)Cc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C19H21N3O3S/c1-13(2)10-19-21-16-8-3-4-9-17(16)22(19)12-18(23)14-6-5-7-15(11-14)26(20,24)25/h3-9,11,13H,10,12H2,1-2H3,(H2,20,24,25)	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	125	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329827 (2-Chloro-5-[(2-isobutyl-1H-benzimidazol-1-yl)acety...) Show SMILES CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C19H20ClN3O3S/c1-12(2)9-19-22-15-5-3-4-6-16(15)23(19)11-17(24)13-7-8-14(20)18(10-13)27(21,25)26/h3-8,10,12H,9,11H2,1-2H3,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.33E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246572 (4-{[2-(Methylsulfanyl)-1H-benzimidazol-1-yl]acetyl...) Show SMILES CSc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S2/c1-23-16-18-13-4-2-3-5-14(13)19(16)10-15(20)11-6-8-12(9-7-11)24(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	3.57	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246573 (2-Chloro-4-{[2-(methylthio)-1H-benzimidazol-1-yl]a...) Show SMILES CSc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S2/c1-24-16-19-12-4-2-3-5-13(12)20(16)9-14(21)10-6-7-15(11(17)8-10)25(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)	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	1.67	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM246574 (3-{[2-(Methylthio)-1H-benzimidazol-1-yl]acetyl}ben...) Show SMILES CSc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S2/c1-23-16-18-13-7-2-3-8-14(13)19(16)10-15(20)11-5-4-6-12(9-11)24(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	1.67E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50329829 (2-Chloro-5-{[2-(methylsulfanyl)-1H-benzimidazol-1-...) Show SMILES CSc1nc2ccccc2n1CC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S2/c1-24-16-19-12-4-2-3-5-13(12)20(16)9-14(21)10-6-7-11(17)15(8-10)25(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM25901 (4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...) Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
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	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163862 (4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163863 (4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.30	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50163864 (3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...) Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.34E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50329832 (5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1cnc2ccccc12 Show InChI InChI=1S/C15H12ClN3O3S/c16-11-6-5-10(7-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM246549 (4-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-4-2-3-5-15(14)19(11)10-16(20)12-6-8-13(9-7-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	6.30	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM246550 (2-Chloro-4-[(2-methyl-1H-benzimidazol-1-yl)acetyl]...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(c(Cl)c1)S(N)(=O)=O Show InChI InChI=1S/C16H14ClN3O3S/c1-10-19-13-4-2-3-5-14(13)20(10)9-15(21)11-6-7-16(12(17)8-11)24(18,22)23/h2-8H,9H2,1H3,(H2,18,22,23)	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	10.5	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM246551 (3-[(2-Methyl-1H-benzimidazol-1-yl)acetyl]benzenesu...) Show SMILES Cc1nc2ccccc2n1CC(=O)c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C16H15N3O3S/c1-11-18-14-7-2-3-8-15(14)19(11)10-16(20)12-5-4-6-13(9-12)23(17,21)22/h2-9H,10H2,1H3,(H2,17,21,22)	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	7.69E+3	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
					More data for this Ligand-Target Pair

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