Found 7 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 2D6
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of monoamine oxidase A |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50374176
(CHEMBL255590 | JNJ-27390467)Show SMILES NCc1ccc2OCC3(CCN(CC3)C(=O)c3ccc(o3)C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Inhibition of monoamine oxidase B |
Bioorg Med Chem Lett 18: 2114-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.093
BindingDB Entry DOI: 10.7270/Q2668F2V |
More data for this
Ligand-Target Pair | |
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