Found 5 hits of Enzyme Inhibition Constant Data 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)) | BDBM50118129
(CHEMBL3612341)Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C16H13N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem 23: 6467-76 (2015)
Article DOI: 10.1016/j.bmc.2015.08.014
BindingDB Entry DOI: 10.7270/Q23J3FRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50118129
(CHEMBL3612341)Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C16H13N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 (unknown origin) |
Bioorg Med Chem 23: 6467-76 (2015)
Article DOI: 10.1016/j.bmc.2015.08.014
BindingDB Entry DOI: 10.7270/Q23J3FRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50118129
(CHEMBL3612341)Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C16H13N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem 23: 6467-76 (2015)
Article DOI: 10.1016/j.bmc.2015.08.014
BindingDB Entry DOI: 10.7270/Q23J3FRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50118129
(CHEMBL3612341)Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C16H13N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22) | 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 |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem 23: 6467-76 (2015)
Article DOI: 10.1016/j.bmc.2015.08.014
BindingDB Entry DOI: 10.7270/Q23J3FRF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50118129
(CHEMBL3612341)Show SMILES [O-][N+](=O)c1ncn(CC(=O)Nc2cccc(c2)-c2ccccc2)n1 Show InChI InChI=1S/C16H13N5O3/c22-15(10-20-11-17-16(19-20)21(23)24)18-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,11H,10H2,(H,18,22) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 23: 6467-76 (2015)
Article DOI: 10.1016/j.bmc.2015.08.014
BindingDB Entry DOI: 10.7270/Q23J3FRF |
More data for this
Ligand-Target Pair | |
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