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BDBM50085135 4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic acid::4-[8-(3-Nitro-phenyl)-[1,7]naphthyridin-6-yl]-benzoic acid::4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid::CHEMBL74078

SMILES: OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=QTNUWEKKZHSUQO-UHFFFAOYSA-N

Data: 10 IC50  1 EC50

PDB links: 3 PDB IDs match 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 = 50085135   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4D from peripheral blood mononuclear cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 88n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A from peripheral blood mononuclear cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Specific 3',5'-cyclic phosphodiesterase 4B (PDE4B1)


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B from peripheral blood mononuclear cells


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 51: 5471-89 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens)
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 68n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 4C (PDE4C) from human source expressed in Saccharomyces cerevisiae


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4D (PDE4D)


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 4D (PDE4D) from human source expressed in Saccharomyces cerevisiae


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(RAT)
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 4B (PDE4B) from rat source expressed in Saccharomyces cerevisiae


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 88n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 4A (PDE4A) from human source expressed in Saccharomyces cerevisiae


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens)
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 68n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4C from peripheral blood mononuclear cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)