Found 7 hits with Last Name = 'falardeau' and Initial = 'g' 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 3A4
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| 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 |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by QPatch technique |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel by planar technique |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50101586
(CHEMBL3394868)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C)C[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc2[nH]c(nc2c1)[C@@H]1C[C@H](C)CN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-25(2)39(51-45(57)59-7)43(55)53-23-27(5)19-37(53)41-47-22-36(50-41)32-15-13-30(14-16-32)29-9-11-31(12-10-29)33-17-18-34-35(21-33)49-42(48-34)38-20-28(6)24-54(38)44(56)40(26(3)4)52-46(58)60-8/h9-18,21-22,25-28,37-40H,19-20,23-24H2,1-8H3,(H,51,57)(H,52,58)/b30-29-,33-31-,36-32-/t27-,28-,37-,38-,39-,40-/m0/s1 | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 25: 944-7 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.045
BindingDB Entry DOI: 10.7270/Q208673W |
More data for this
Ligand-Target Pair | |
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