Found 4 hits for monomerid = 50354336 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)) | BDBM50354336
(CHEMBL1834000)Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2nnn(c2C#CCO)-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/C26H30N4O12S2/c1-14(32)38-12-22-23(39-15(2)33)24(40-16(3)34)25(41-17(4)35)26(42-22)43-13-20-21(6-5-11-31)30(29-28-20)18-7-9-19(10-8-18)44(27,36)37/h7-10,22-26,31H,11-13H2,1-4H3,(H2,27,36,37)/t22-,23-,24+,25-,26+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | 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 2
(Homo sapiens (Human)) | BDBM50354336
(CHEMBL1834000)Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2nnn(c2C#CCO)-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/C26H30N4O12S2/c1-14(32)38-12-22-23(39-15(2)33)24(40-16(3)34)25(41-17(4)35)26(42-22)43-13-20-21(6-5-11-31)30(29-28-20)18-7-9-19(10-8-18)44(27,36)37/h7-10,22-26,31H,11-13H2,1-4H3,(H2,27,36,37)/t22-,23-,24+,25-,26+/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
| 11.9 | 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 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 9
(Homo sapiens (Human)) | BDBM50354336
(CHEMBL1834000)Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2nnn(c2C#CCO)-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/C26H30N4O12S2/c1-14(32)38-12-22-23(39-15(2)33)24(40-16(3)34)25(41-17(4)35)26(42-22)43-13-20-21(6-5-11-31)30(29-28-20)18-7-9-19(10-8-18)44(27,36)37/h7-10,22-26,31H,11-13H2,1-4H3,(H2,27,36,37)/t22-,23-,24+,25-,26+/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
| 72 | 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)) | BDBM50354336
(CHEMBL1834000)Show SMILES CC(=O)OC[C@H]1O[C@@H](SCc2nnn(c2C#CCO)-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/C26H30N4O12S2/c1-14(32)38-12-22-23(39-15(2)33)24(40-16(3)34)25(41-17(4)35)26(42-22)43-13-20-21(6-5-11-31)30(29-28-20)18-7-9-19(10-8-18)44(27,36)37/h7-10,22-26,31H,11-13H2,1-4H3,(H2,27,36,37)/t22-,23-,24+,25-,26+/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
| 105 | 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 | |