Found 4 hits for monomerid = 50235684 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 9
(Homo sapiens (Human)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 330 | 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)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 740 | 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 carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
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)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.01E+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 1
(Homo sapiens (Human)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.50E+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 | |
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