Found 4 hits for monomerid = 50092599 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)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | 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
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50092599
(CHEMBL3586213)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCC(C)CC1 |(5.07,3.24,;4,3.86,;2.67,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;2.67,7.4,;,3.08,;-1.07,3.7,;-0,4.31,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;-1.06,-3.7,;1.34,-3.85,;1.34,-5.39,;2.68,-6.16,;2.68,-7.7,;1.34,-8.47,;1.34,-9.7,;.01,-7.7,;.01,-6.16,)| Show InChI InChI=1S/C20H32N2O3S/c1-4-14-22(15-5-2)26(24,25)19-12-8-17(9-13-19)20(23)21-18-10-6-16(3)7-11-18/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23) | 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
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chieti-Pescara
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 23: 2975-81 (2015)
Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK |
More data for this Ligand-Target Pair | |