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BDBM50357872 CHEMBL1916132

SMILES: Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F

InChI Key: InChIKey=SCPJKGGAIWBYON-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50357872   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE5A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 11A (PDE11A)


(Homo sapiens (Human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE11A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE3A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus (Bovine))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine PDE6A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human PDE10A expressed in Escherichia coli using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a 325n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE2A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE7A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 8


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE8A using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE9A using [3H]cGMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (human))
BDBM50357872
PNG
(CHEMBL1916132)
Show SMILES Cc1nc(-c2ccncc2C)n2c1c(C)nc1c(Cl)cc(cc21)C(F)(F)F
Show InChI InChI=1S/C19H14ClF3N4/c1-9-8-24-5-4-13(9)18-26-11(3)17-10(2)25-16-14(20)6-12(19(21,22)23)7-15(16)27(17)18/h4-8H,1-3H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE1B using [3H]cAMP after 1 hr by scintillation proximity assay


J Med Chem 54: 7621-38 (2011)

More data for this
Ligand-Target Pair