Found 6 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to FLAP in human PMN by radioligand displacement assay |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of COX1 |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50322851
(CHEMBL1210423 | sodium 3-(3-(tert-butylthio)-1-(4-...)Show SMILES COc1cnc(nc1)-c1ccc(Cn2c(CC(C)(C)C([O-])=O)c(SC(C)(C)C)c3cc(OCc4ccc(C)cn4)ccc23)cc1 Show InChI InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)/p-1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of COX2 |
Bioorg Med Chem Lett 20: 4598-601 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.011
BindingDB Entry DOI: 10.7270/Q2F76CRR |
More data for this
Ligand-Target Pair | |
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