Found 6 hits for monomerid = 50454644 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 3A4
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50454644
(CHEMBL4202404)Show SMILES CCCCNc1nc(N)nc2cccc(C(=O)N[C@H](C)c3ccccc3)c12 |r| Show InChI InChI=1S/C21H25N5O/c1-3-4-13-23-19-18-16(11-8-12-17(18)25-21(22)26-19)20(27)24-14(2)15-9-6-5-7-10-15/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)(H3,22,23,25,26)/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Janssen Infectious Diseases Diagnostics BVBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 711-719 (2018)
Article DOI: 10.1016/j.bmcl.2018.01.014
BindingDB Entry DOI: 10.7270/Q2K35X8K |
More data for this
Ligand-Target Pair | |
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