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SMILES: CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O

InChI Key: InChIKey=UJQKNBFBUSXTSO-CMPLNLGQSA-N

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 14 hits for monomerid = 50259148   
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))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1b

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1c

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE3a

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE3b

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE8b

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4b

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4c

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4d

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE7a

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE7b

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE8a

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50259148
PNG
((-)2-({(trans)-2-[(3-isopropyl-7-oxo-6,7-dihydro-1...)
Show SMILES CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ncc(C(O)=O)c(n1)C(F)(F)F)[nH]c2=O |r|
Show InChI InChI=1S/C21H24F3N7O3/c1-9(2)14-15-16(31-30-14)18(32)28-13(27-15)7-10-5-3-4-6-12(10)26-20-25-8-11(19(33)34)17(29-20)21(22,23)24/h8-10,12H,3-7H2,1-2H3,(H,30,31)(H,33,34)(H,25,26,29)(H,27,28,32)/t10-,12+/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE4a

Bioorg Med Chem Lett 19: 2537-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.024
BindingDB Entry DOI: 10.7270/Q2RB74GG
More data for this
Ligand-Target Pair