BindingDB logo
myBDB logout

PubMed code 21666860

Compile data set for download or QSAR
Found 14 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
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50335377
PNG
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins before ole...


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50335377
PNG
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Irreversible inhibition of His-tagged rat FAAH N-terminal transmembrane-deleted truncated form expressed in Escherichia coli preincubated for 60 mins...


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335380
PNG
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1
Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng testosterone substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50335380
PNG
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1
Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50335379
PNG
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)
Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)=Cc2cccc(Oc3ccc(cn3)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335379
PNG
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)
Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)=Cc2cccc(Oc3ccc(cn3)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng testosterone substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335380
PNG
(CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1
Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,13-16H,8-9,11-12H2,(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng midazolam substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335379
PNG
(CHEMBL1651532 | N-(6-Methylpyridin-3-yl)-4-(3-{[5-...)
Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)=Cc2cccc(Oc3ccc(cn3)C(F)(F)F)c2)cn1
Show InChI InChI=1S/C25H23F3N4O2/c1-17-5-7-21(16-29-17)31-24(33)32-11-9-18(10-12-32)13-19-3-2-4-22(14-19)34-23-8-6-20(15-30-23)25(26,27)28/h2-8,13-16H,9-12H2,1H3,(H,31,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng midazolam substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50335377
PNG
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335378
PNG
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cnccn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.35E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng testosterone substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50335378
PNG
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cnccn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335378
PNG
(CHEMBL1651533 | N-Pyrazin-2-yl-4-(3-{[5-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cnccn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-4-5-21(29-14-18)33-19-3-1-2-17(13-19)12-16-6-10-31(11-7-16)22(32)30-20-15-27-8-9-28-20/h1-5,8-9,12-15H,6-7,10-11H2,(H,28,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng midazolam substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335377
PNG
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng midazolam substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50335377
PNG
(CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...)
Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc3cccnn3)c2)nc1
Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 uisng testosterone substrate


ACS Med Chem Lett 2: 91-96 (2011)


Article DOI: 10.1021/ml100190t
BindingDB Entry DOI: 10.7270/Q25X29WM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%