Found 4 hits for monomerid = 50235687 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)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 390 | 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)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.71E+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)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.64E+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 | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.33E+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 human platelet adhesion to fibrinogen |
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 | |
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