Found 4 hits for monomerid = 50118207 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)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 6.30 | 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 carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 75 | 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 carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/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
| PubMed
| 135 | 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 carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/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
| PubMed
| 528 | 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 carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |