BindingDB logo
myBDB logout

BDBM50114418 8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic acid (3,5-dichloro-pyridin-4-yl)-amide::CHEMBL40200::N-(3,5-dichloropyridin-4-yl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide::SCH-365351

SMILES: COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F

InChI Key: InChIKey=HBRLPTMZNRCNBL-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50114418   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE11


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE10


Bioorg Med Chem Lett 17: 5150-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.092
BindingDB Entry DOI: 10.7270/Q2862G4H
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 51n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE4 in Homo sapiens (human) U937 cells


Citation and Details

Article DOI: 10.1007/s00044-012-0457-4
BindingDB Entry DOI: 10.7270/Q2CR5X7T
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 77n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 in rat brain


Bioorg Med Chem Lett 12: 1617-9 (2002)


BindingDB Entry DOI: 10.7270/Q289182S
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 51n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 7n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to PDE4 of rat brain


Bioorg Med Chem Lett 12: 1621-3 (2002)


BindingDB Entry DOI: 10.7270/Q24J0HB2
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50114418
PNG
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F
Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 51n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 12: 1617-9 (2002)


BindingDB Entry DOI: 10.7270/Q289182S
More data for this
Ligand-Target Pair