BindingDB logo
myBDB logout

PubMed code 17428043

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM22720
PNG
(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 50: 2225-39 (2007)


Article DOI: 10.1021/jm070027u
BindingDB Entry DOI: 10.7270/Q2F18ZD0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM22720
PNG
(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 50: 2225-39 (2007)


Article DOI: 10.1021/jm070027u
BindingDB Entry DOI: 10.7270/Q2F18ZD0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM22720
PNG
(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 50: 2225-39 (2007)


Article DOI: 10.1021/jm070027u
BindingDB Entry DOI: 10.7270/Q2F18ZD0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM22720
PNG
(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 50: 2225-39 (2007)


Article DOI: 10.1021/jm070027u
BindingDB Entry DOI: 10.7270/Q2F18ZD0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM22720
PNG
(2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluoropheny...)
Show SMILES CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Show InChI InChI=1S/C17H21FN4O3/c1-17(2,22(3)4)16-20-12(13(23)15(25)21-16)14(24)19-9-10-5-7-11(18)8-6-10/h5-8,23H,9H2,1-4H3,(H,19,24)(H,20,21,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



P. Angeletti S.p.A. (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 50: 2225-39 (2007)


Article DOI: 10.1021/jm070027u
BindingDB Entry DOI: 10.7270/Q2F18ZD0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%