Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50030515 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 |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50080250
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50080250
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
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
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297381
(3-(3-(tert-butylthio)-1-(4-(5-fluorothiazol-2-yl)b...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncc(F)s2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C33H34FN3O3S2/c1-32(2,3)42-29-25-16-24(40-20-23-8-6-7-15-35-23)13-14-26(25)37(27(29)17-33(4,5)31(38)39)19-21-9-11-22(12-10-21)30-36-18-28(34)41-30/h6-16,18H,17,19-20H2,1-5H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297374
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cccnc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C35H37N3O3S/c1-34(2,3)42-32-29-19-28(41-23-27-10-6-7-18-37-27)15-16-30(29)38(31(32)20-35(4,5)33(39)40)22-24-11-13-25(14-12-24)26-9-8-17-36-21-26/h6-19,21H,20,22-23H2,1-5H3,(H,39,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297383
(3-(3-(tert-butylthio)-1-(4-(2-methoxythiazol-4-yl)...)Show SMILES COc1nc(cs1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C34H37N3O4S2/c1-33(2,3)43-30-26-17-25(41-20-24-9-7-8-16-35-24)14-15-28(26)37(29(30)18-34(4,5)31(38)39)19-22-10-12-23(13-11-22)27-21-42-32(36-27)40-6/h7-17,21H,18-20H2,1-6H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297376
(3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...)Show SMILES COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C35H38N4O4S/c1-34(2,3)44-32-27-19-26(43-22-25-9-7-8-18-36-25)14-16-29(27)39(30(32)20-35(4,5)33(40)41)21-23-10-12-24(13-11-23)28-15-17-31(42-6)38-37-28/h7-19H,20-22H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297374
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cccnc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C35H37N3O3S/c1-34(2,3)42-32-29-19-28(41-23-27-10-6-7-18-37-27)15-16-30(29)38(31(32)20-35(4,5)33(39)40)22-24-11-13-25(14-12-24)26-9-8-17-36-21-26/h6-19,21H,20,22-23H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297380
(3-(3-(tert-butylthio)-1-(4-(5-methylthiazol-2-yl)b...)Show SMILES Cc1cnc(s1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C34H37N3O3S2/c1-22-19-36-31(41-22)24-12-10-23(11-13-24)20-37-28-15-14-26(40-21-25-9-7-8-16-35-25)17-27(28)30(42-33(2,3)4)29(37)18-34(5,6)32(38)39/h7-17,19H,18,20-21H2,1-6H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297386
(3-(3-(tert-butylthio)-1-(3-(6-methoxypyridin-3-yl)...)Show SMILES COc1ccc(cn1)-c1cccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)c1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-12-7-8-17-37-27)14-15-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-9-11-25(18-24)26-13-16-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297377
(3-[3-tert-Butylsulfanyl-1-[4-(6-methylpyridin-3-yl...)Show SMILES Cc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O3S/c1-24-10-13-27(21-38-24)26-14-11-25(12-15-26)22-39-31-17-16-29(42-23-28-9-7-8-18-37-28)19-30(31)33(43-35(2,3)4)32(39)20-36(5,6)34(40)41/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297378
(1-(Thiazol-2-yl)benzyl-3-[3-(cyclobutylmethyl)-5-(...)Show SMILES CC(C)(Cc1c(CC2CCC2)c2cc(OCc3ccccn3)ccc2n1Cc1ccc(cc1)-c1nccs1)C(O)=O Show InChI InChI=1S/C34H35N3O3S/c1-34(2,33(38)39)20-31-28(18-23-6-5-7-23)29-19-27(40-22-26-8-3-4-15-35-26)13-14-30(29)37(31)21-24-9-11-25(12-10-24)32-36-16-17-41-32/h3-4,8-17,19,23H,5-7,18,20-22H2,1-2H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297384
(3-(3-(tert-butylthio)-1-(4-(5-methoxypyridin-2-yl)...)Show SMILES COc1ccc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-27(43-23-26-9-7-8-18-37-26)15-17-31(29)39(32(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)30-16-14-28(42-6)21-38-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297371
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-30-27-19-26(41-22-25-9-6-7-16-35-25)14-15-28(27)38(29(30)20-34(4,5)32(39)40)21-23-10-12-24(13-11-23)31-36-17-8-18-37-31/h6-19H,20-22H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297382
(3-(3-(tert-butylthio)-1-(4-(4-methylthiazol-2-yl)b...)Show SMILES Cc1csc(n1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C34H37N3O3S2/c1-22-21-41-31(36-22)24-12-10-23(11-13-24)19-37-28-15-14-26(40-20-25-9-7-8-16-35-25)17-27(28)30(42-33(2,3)4)29(37)18-34(5,6)32(38)39/h7-17,21H,18-20H2,1-6H3,(H,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297372
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cncnc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-31-28-16-27(41-21-26-8-6-7-15-37-26)13-14-29(28)38(30(31)17-34(4,5)32(39)40)20-23-9-11-24(12-10-23)25-18-35-22-36-19-25/h6-16,18-19,22H,17,20-21H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297374
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cccnc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C35H37N3O3S/c1-34(2,3)42-32-29-19-28(41-23-27-10-6-7-18-37-27)15-16-30(29)38(31(32)20-35(4,5)33(39)40)22-24-11-13-25(14-12-24)26-9-8-17-36-21-26/h6-19,21H,20,22-23H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297370
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C33H35N3O3S2/c1-32(2,3)41-29-26-18-25(39-21-24-8-6-7-15-34-24)13-14-27(26)36(28(29)19-33(4,5)31(37)38)20-22-9-11-23(12-10-22)30-35-16-17-40-30/h6-18H,19-21H2,1-5H3,(H,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297377
(3-[3-tert-Butylsulfanyl-1-[4-(6-methylpyridin-3-yl...)Show SMILES Cc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O3S/c1-24-10-13-27(21-38-24)26-14-11-25(12-15-26)22-39-31-17-16-29(42-23-28-9-7-8-18-37-28)19-30(31)33(43-35(2,3)4)32(39)20-36(5,6)34(40)41/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297384
(3-(3-(tert-butylthio)-1-(4-(5-methoxypyridin-2-yl)...)Show SMILES COc1ccc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-27(43-23-26-9-7-8-18-37-26)15-17-31(29)39(32(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)30-16-14-28(42-6)21-38-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297377
(3-[3-tert-Butylsulfanyl-1-[4-(6-methylpyridin-3-yl...)Show SMILES Cc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O3S/c1-24-10-13-27(21-38-24)26-14-11-25(12-15-26)22-39-31-17-16-29(42-23-28-9-7-8-18-37-28)19-30(31)33(43-35(2,3)4)32(39)20-36(5,6)34(40)41/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297371
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-30-27-19-26(41-22-25-9-6-7-16-35-25)14-15-28(27)38(29(30)20-34(4,5)32(39)40)21-23-10-12-24(13-11-23)31-36-17-8-18-37-31/h6-19H,20-22H2,1-5H3,(H,39,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297384
(3-(3-(tert-butylthio)-1-(4-(5-methoxypyridin-2-yl)...)Show SMILES COc1ccc(nc1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-27(43-23-26-9-7-8-18-37-26)15-17-31(29)39(32(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)30-16-14-28(42-6)21-38-30/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297371
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-30-27-19-26(41-22-25-9-6-7-16-35-25)14-15-28(27)38(29(30)20-34(4,5)32(39)40)21-23-10-12-24(13-11-23)31-36-17-8-18-37-31/h6-19H,20-22H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297371
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-30-27-19-26(41-22-25-9-6-7-16-35-25)14-15-28(27)38(29(30)20-34(4,5)32(39)40)21-23-10-12-24(13-11-23)31-36-17-8-18-37-31/h6-19H,20-22H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50029559
(2-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-(qui...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12 Show InChI InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50080250
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297376
(3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...)Show SMILES COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C35H38N4O4S/c1-34(2,3)44-32-27-19-26(43-22-25-9-7-8-18-36-25)14-16-29(27)39(30(32)20-35(4,5)33(40)41)21-23-10-12-24(13-11-23)28-15-17-31(42-6)38-37-28/h7-19H,20-22H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297374
(3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cccnc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C35H37N3O3S/c1-34(2,3)42-32-29-19-28(41-23-27-10-6-7-18-37-27)15-16-30(29)38(31(32)20-35(4,5)33(39)40)22-24-11-13-25(14-12-24)26-9-8-17-36-21-26/h6-19,21H,20,22-23H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297375
(3-(3-(tert-butylthio)-1-(4-(6-methylpyridazin-3-yl...)Show SMILES Cc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C35H38N4O3S/c1-23-10-16-29(38-37-23)25-13-11-24(12-14-25)21-39-30-17-15-27(42-22-26-9-7-8-18-36-26)19-28(30)32(43-34(2,3)4)31(39)20-35(5,6)33(40)41/h7-19H,20-22H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297376
(3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...)Show SMILES COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C35H38N4O4S/c1-34(2,3)44-32-27-19-26(43-22-25-9-7-8-18-36-25)14-16-29(27)39(30(32)20-35(4,5)33(40)41)21-23-10-12-24(13-11-23)28-15-17-31(42-6)38-37-28/h7-19H,20-22H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297373
(3-(3-(tert-butylthio)-1-(4-(pyrazin-2-yl)benzyl)-5...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2cnccn2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C34H36N4O3S/c1-33(2,3)42-31-27-18-26(41-22-25-8-6-7-15-36-25)13-14-29(27)38(30(31)19-34(4,5)32(39)40)21-23-9-11-24(12-10-23)28-20-35-16-17-37-28/h6-18,20H,19,21-22H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50080250
(3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(pyridi...)Show SMILES CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C30H33ClN2O3S/c1-29(2,3)37-27-24-16-23(36-19-22-8-6-7-15-32-22)13-14-25(24)33(18-20-9-11-21(31)12-10-20)26(27)17-30(4,5)28(34)35/h6-16H,17-19H2,1-5H3,(H,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297376
(3-(3-(tert-butylthio)-1-(4-(6-methoxypyridazin-3-y...)Show SMILES COc1ccc(nn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C35H38N4O4S/c1-34(2,3)44-32-27-19-26(43-22-25-9-7-8-18-36-25)14-16-29(27)39(30(32)20-35(4,5)33(40)41)21-23-10-12-24(13-11-23)28-15-17-31(42-6)38-37-28/h7-19H,20-22H2,1-6H3,(H,40,41) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50297385
(3-[3-tert-Butylsulfanyl-1-[4-(6-methoxy-pyridin-3-...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)cc1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297389
(3-(3-(tert-butylsulfonyl)-1-(4-(6-methoxypyridin-3...)Show SMILES COc1ccc(cn1)-c1ccc(Cn2c(CC(C)(C)C(O)=O)c(c3cc(OCc4ccccn4)ccc23)S(=O)(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C36H39N3O6S/c1-35(2,3)46(42,43)33-29-19-28(45-23-27-9-7-8-18-37-27)15-16-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-12-25(13-11-24)26-14-17-32(44-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 205 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297379
(1-(Thiazol-2-yl)benzyl-3-[3-(3,3-dimethylbut-1-yl)...)Show SMILES CC(C)(C)CCc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2nccs2)c2ccc(OCc3ccccn3)cc12 Show InChI InChI=1S/C35H39N3O3S/c1-34(2,3)16-15-28-29-20-27(41-23-26-8-6-7-17-36-26)13-14-30(29)38(31(28)21-35(4,5)33(39)40)22-24-9-11-25(12-10-24)32-37-18-19-42-32/h6-14,17-20H,15-16,21-23H2,1-5H3,(H,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 229 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297390
(1-(Thiazol-2-yl)benzyl-3-[5-(pyridine-2-ylmethoxy)...)Show SMILES CC(C)(Cc1cc2cc(OCc3ccccn3)ccc2n1Cc1ccc(cc1)-c1nccs1)C(O)=O Show InChI InChI=1S/C29H27N3O3S/c1-29(2,28(33)34)17-24-15-22-16-25(35-19-23-5-3-4-12-30-23)10-11-26(22)32(24)18-20-6-8-21(9-7-20)27-31-13-14-36-27/h3-16H,17-19H2,1-2H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50297386
(3-(3-(tert-butylthio)-1-(3-(6-methoxypyridin-3-yl)...)Show SMILES COc1ccc(cn1)-c1cccc(Cn2c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c3cc(OCc4ccccn4)ccc23)c1 Show InChI InChI=1S/C36H39N3O4S/c1-35(2,3)44-33-29-19-28(43-23-27-12-7-8-17-37-27)14-15-30(29)39(31(33)20-36(4,5)34(40)41)22-24-10-9-11-25(18-24)26-13-16-32(42-6)38-21-26/h7-19,21H,20,22-23H2,1-6H3,(H,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of COX1 in human whole blood |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
More data for this
Ligand-Target Pair | |
Arachidonate 5-lipoxygenase-activating protein
(Homo sapiens (Human)) | BDBM50297391
(1-(Thiazol-2-yl)benzyl-3-[3-(cyclobutylcarbonyl)-5...)Show SMILES CC(C)(Cc1c(C(=O)C2CCC2)c2cc(OCc3ccccn3)ccc2n1Cc1ccc(cc1)-c1nccs1)C(O)=O Show InChI InChI=1S/C34H33N3O4S/c1-34(2,33(39)40)19-29-30(31(38)23-6-5-7-23)27-18-26(41-21-25-8-3-4-15-35-25)13-14-28(27)37(29)20-22-9-11-24(12-10-22)32-36-16-17-42-32/h3-4,8-18,23H,5-7,19-21H2,1-2H3,(H,39,40) | PDB
MMDB
Reactome pathway
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Amira Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzyl-indol-2-yl]-2,2-dimethylpropionic acid from FLAP in human polymorphonuclear ce... |
J Med Chem 52: 5803-15 (2009)
Article DOI: 10.1021/jm900945d
BindingDB Entry DOI: 10.7270/Q2G44QB1 |
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Ligand-Target Pair | |
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