Found 4 hits for monomerid = 50235690 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 anhydrases; II & IX
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | 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
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | 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
| 7.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |