Found 27 hits of kd for monomerid = 50329822 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 13 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(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
| Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
Carbonic anhydrase
(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
| Article
PubMed
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase
(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
| Article
PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase
(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
| Article
PubMed
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrases; II & IX
(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
| Article
PubMed
| n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 13 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase
(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
| Article
PubMed
| n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| |
J Med Chem 61: 2292-2302 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01408 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(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
| PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 12
(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
| PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(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
| PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 12
(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
| Article
PubMed
| n/a | n/a | n/a | 769 | 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 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
| PubMed
| n/a | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 13 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 (CA XIII)
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 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
| 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 (docked) |
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
| 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 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
| PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
Uppsala University
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assay |
J Med Chem 59: 2083-93 (2016)
BindingDB Entry DOI: 10.7270/Q2571DWK |
More data for this
Ligand-Target Pair | |
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
| 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)) | 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
| 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)) | 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
| 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)) | 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
| 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 | |
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