Found 5 hits for monomerid = 50494691 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)) | BDBM50494691
(CHEMBL3092812)Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article 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 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50494691
(CHEMBL3092812)Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 61 | 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 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50494691
(CHEMBL3092812)Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 69 | 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 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50494691
(CHEMBL3092812)Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 76 | 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 14 by stopped-flow CO2 hydration assay |
J Med Chem 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50494691
(CHEMBL3092812)Show SMILES CCCC(=O)OC[C@H]1O[C@H]([C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H]1OC(=O)CCC)n1cc(nn1)-c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C30H42N4O11S/c1-5-10-23(35)41-18-22-27(43-24(36)11-6-2)28(44-25(37)12-7-3)29(45-26(38)13-8-4)30(42-22)34-17-21(32-33-34)19-14-9-15-20(16-19)46(31,39)40/h9,14-17,22,27-30H,5-8,10-13,18H2,1-4H3,(H2,31,39,40)/t22-,27+,28+,29-,30-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 83 | 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 56: 9623-34 (2013)
Article DOI: 10.1021/jm401163e BindingDB Entry DOI: 10.7270/Q2XK8JGS |
More data for this Ligand-Target Pair | |