Found 4 hits for monomerid = 50354342 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 2
(Homo sapiens (Human)) | BDBM50354342
(CHEMBL1836628)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(=O)(=O)Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C35H44N4O21S2/c1-16(40)51-13-26-28(53-18(3)42)30(54-19(4)43)32(56-21(6)45)34(58-26)60-29-27(14-52-17(2)41)59-35(33(57-22(7)46)31(29)55-20(5)44)61(47,48)15-23-12-39(38-37-23)24-8-10-25(11-9-24)62(36,49)50/h8-12,26-35H,13-15H2,1-7H3,(H2,36,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 44.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by CO2 hydration based stopped flow assay |
J Med Chem 54: 6905-18 (2011)
Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50354342
(CHEMBL1836628)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(=O)(=O)Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C35H44N4O21S2/c1-16(40)51-13-26-28(53-18(3)42)30(54-19(4)43)32(56-21(6)45)34(58-26)60-29-27(14-52-17(2)41)59-35(33(57-22(7)46)31(29)55-20(5)44)61(47,48)15-23-12-39(38-37-23)24-8-10-25(11-9-24)62(36,49)50/h8-12,26-35H,13-15H2,1-7H3,(H2,36,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 by CO2 hydration based stopped flow assay |
J Med Chem 54: 6905-18 (2011)
Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50354342
(CHEMBL1836628)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(=O)(=O)Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C35H44N4O21S2/c1-16(40)51-13-26-28(53-18(3)42)30(54-19(4)43)32(56-21(6)45)34(58-26)60-29-27(14-52-17(2)41)59-35(33(57-22(7)46)31(29)55-20(5)44)61(47,48)15-23-12-39(38-37-23)24-8-10-25(11-9-24)62(36,49)50/h8-12,26-35H,13-15H2,1-7H3,(H2,36,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1 | 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
| 61.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA9 by CO2 hydration based stopped flow assay |
J Med Chem 54: 6905-18 (2011)
Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50354342
(CHEMBL1836628)Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(=O)(=O)Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r| Show InChI InChI=1S/C35H44N4O21S2/c1-16(40)51-13-26-28(53-18(3)42)30(54-19(4)43)32(56-21(6)45)34(58-26)60-29-27(14-52-17(2)41)59-35(33(57-22(7)46)31(29)55-20(5)44)61(47,48)15-23-12-39(38-37-23)24-8-10-25(11-9-24)62(36,49)50/h8-12,26-35H,13-15H2,1-7H3,(H2,36,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,35+/m1/s1 | 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
| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by CO2 hydration based stopped flow assay |
J Med Chem 54: 6905-18 (2011)
Article DOI: 10.1021/jm200892s BindingDB Entry DOI: 10.7270/Q2BG2PDZ |
More data for this Ligand-Target Pair | |