Found 4 hits for monomerid = 50354343 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)) | BDBM50354343
(CHEMBL1836627)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)Cc2nnn(c2I)-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/C35H43IN4O21S2/c1-15(41)52-12-25-27(54-17(3)43)29(55-18(4)44)31(57-20(6)46)34(59-25)61-28-26(13-53-16(2)42)60-35(32(58-21(7)47)30(28)56-19(5)45)62(48,49)14-24-33(36)40(39-38-24)22-8-10-23(11-9-22)63(37,50)51/h8-11,25-32,34-35H,12-14H2,1-7H3,(H2,37,50,51)/t25-,26-,27-,28-,29+,30+,31-,32-,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
| 49.8 | 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)) | BDBM50354343
(CHEMBL1836627)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)Cc2nnn(c2I)-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/C35H43IN4O21S2/c1-15(41)52-12-25-27(54-17(3)43)29(55-18(4)44)31(57-20(6)46)34(59-25)61-28-26(13-53-16(2)42)60-35(32(58-21(7)47)30(28)56-19(5)45)62(48,49)14-24-33(36)40(39-38-24)22-8-10-23(11-9-22)63(37,50)51/h8-11,25-32,34-35H,12-14H2,1-7H3,(H2,37,50,51)/t25-,26-,27-,28-,29+,30+,31-,32-,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
| 59.2 | 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)) | BDBM50354343
(CHEMBL1836627)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)Cc2nnn(c2I)-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/C35H43IN4O21S2/c1-15(41)52-12-25-27(54-17(3)43)29(55-18(4)44)31(57-20(6)46)34(59-25)61-28-26(13-53-16(2)42)60-35(32(58-21(7)47)30(28)56-19(5)45)62(48,49)14-24-33(36)40(39-38-24)22-8-10-23(11-9-22)63(37,50)51/h8-11,25-32,34-35H,12-14H2,1-7H3,(H2,37,50,51)/t25-,26-,27-,28-,29+,30+,31-,32-,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
| 99.6 | 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)) | BDBM50354343
(CHEMBL1836627)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)Cc2nnn(c2I)-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/C35H43IN4O21S2/c1-15(41)52-12-25-27(54-17(3)43)29(55-18(4)44)31(57-20(6)46)34(59-25)61-28-26(13-53-16(2)42)60-35(32(58-21(7)47)30(28)56-19(5)45)62(48,49)14-24-33(36)40(39-38-24)22-8-10-23(11-9-22)63(37,50)51/h8-11,25-32,34-35H,12-14H2,1-7H3,(H2,37,50,51)/t25-,26-,27-,28-,29+,30+,31-,32-,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
| 101 | 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 | |