Found 5 hits for monomerid = 50459195 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 2C9
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| 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 |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50459195
(CHEMBL4203720)Show SMILES COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2nc3ccccc3o2)c1 Show InChI InChI=1S/C24H19N3O3/c1-29-16-8-6-7-15(13-16)26-22(24-27-20-11-4-5-12-21(20)30-24)23(28)18-14-25-19-10-3-2-9-17(18)19/h2-14,22,25-26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cistim Leuven vzw
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 61: 8390-8401 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00913
BindingDB Entry DOI: 10.7270/Q2Z03BSW |
More data for this
Ligand-Target Pair | |
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