Found 77 hits of Enzyme Inhibition Constant Data 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)) | 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 | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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 | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23) | 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 | 60 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 7
(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
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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23) | 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 | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | 7.10E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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 | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329832
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)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
| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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 | 700 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 7
(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
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 | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329832
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329828
(2-Chloro-5-{[2-(4-morpholinylmethyl)-1H-benzimidaz...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CN2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C20H21ClN4O4S/c21-15-6-5-14(11-19(15)30(22,27)28)18(26)12-25-17-4-2-1-3-16(17)23-20(25)13-24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H2,22,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | 4.50E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 7
(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
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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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 | 300 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | 8.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
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 | 7.10E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329832
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(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
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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329828
(2-Chloro-5-{[2-(4-morpholinylmethyl)-1H-benzimidaz...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CN2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C20H21ClN4O4S/c21-15-6-5-14(11-19(15)30(22,27)28)18(26)12-25-17-4-2-1-3-16(17)23-20(25)13-24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H2,22,27,28) | 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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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 | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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 | 500 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 7
(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
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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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 | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329828
(2-Chloro-5-{[2-(4-morpholinylmethyl)-1H-benzimidaz...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CN2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C20H21ClN4O4S/c21-15-6-5-14(11-19(15)30(22,27)28)18(26)12-25-17-4-2-1-3-16(17)23-20(25)13-24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H2,22,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329832
(5-(1H-Benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)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 | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
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+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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 | 30 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329835
(5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329833
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22) | 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 | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
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 | 600 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(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
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 | 800 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 2
(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
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+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 7
(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
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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329828
(2-Chloro-5-{[2-(4-morpholinylmethyl)-1H-benzimidaz...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CN2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C20H21ClN4O4S/c21-15-6-5-14(11-19(15)30(22,27)28)18(26)12-25-17-4-2-1-3-16(17)23-20(25)13-24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H2,22,27,28) | 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 | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50329834
(2-Chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]ben...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2cc3OCCOc3cc2[nH]1 Show InChI InChI=1S/C17H14ClN3O5S2/c18-10-2-1-9(5-16(10)28(19,23)24)13(22)8-27-17-20-11-6-14-15(7-12(11)21-17)26-4-3-25-14/h1-2,5-7H,3-4,8H2,(H,20,21)(H2,19,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13
(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
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PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay |
Bioorg Med Chem 18: 7357-64 (2010)
Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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