Found 6 hits for monomerid = 50390236 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 |
|---|
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Mus musculus (Mouse)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]PYY from mouse NPY Y5 receptor |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50390236
(CHEMBL2070143)Show SMILES CCCS(=O)(=O)c1ccc2nc([nH]c2c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C17H15F3N2O3S/c1-2-8-26(23,24)13-6-7-14-15(10-13)22-16(21-14)11-4-3-5-12(9-11)25-17(18,19)20/h3-7,9-10H,2,8H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 5498-502 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.020
BindingDB Entry DOI: 10.7270/Q2251K8Z |
More data for this
Ligand-Target Pair | |
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