Found 5 hits for monomerid = 50109146 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50109146
(CHEMBL3601532)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50109146
(CHEMBL3601532)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50109146
(CHEMBL3601532)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109146
(CHEMBL3601532)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50109146
(CHEMBL3601532)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 8.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
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