Found 5 hits for monomerid = 50396791 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 12
(Homo sapiens (Human)) | BDBM50396791
(CHEMBL2172744)Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25) | 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 | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method |
J Med Chem 55: 7875-82 (2012)
Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50396791
(CHEMBL2172744)Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method |
J Med Chem 55: 7875-82 (2012)
Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50396791
(CHEMBL2172744)Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs |
J Med Chem 55: 7875-82 (2012)
Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50396791
(CHEMBL2172744)Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method |
J Med Chem 55: 7875-82 (2012)
Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50396791
(CHEMBL2172744)Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method |
J Med Chem 55: 7875-82 (2012)
Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB |
More data for this Ligand-Target Pair | |