BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'muller' and Initial = 'g'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8117
PNG
(Hydroxyethylene Sulfone 17b | N-[(2S,3R,5S)-1-(3-b...)
Show SMILES CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
45 -41.9 85n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8123
PNG
(Hydroxyethylene Sulfone 18a | N-((1S,2R,4S)-1-(3-b...)
Show SMILES CNc1ccc(cc1)S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C |r|
Show InChI InChI=1S/C32H41BrN2O5S/c1-21(2)16-28(41(38,39)27-14-12-26(34-5)13-15-27)19-30(36)29(18-24-10-7-11-25(33)17-24)35-31(37)20-40-32-22(3)8-6-9-23(32)4/h6-15,17,21,28-30,34,36H,16,18-20H2,1-5H3,(H,35,37)/t28-,29-,30+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
370 -36.7 530n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8124
PNG
(Hydroxyethylene Sulfone 18b | N-((1S,2R,4S)-1-(3-b...)
Show SMILES CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C33H43BrN2O5S/c1-22(2)17-29(42(39,40)28-15-13-27(14-16-28)36(5)6)20-31(37)30(19-25-11-8-12-26(34)18-25)35-32(38)21-41-33-23(3)9-7-10-24(33)4/h7-16,18,22,29-31,37H,17,19-21H2,1-6H3,(H,35,38)/t29-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
540 -35.8 790n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8118
PNG
(Hydroxyethylene Sulfone 17b- | N-[(2R,3S,5R)-1-(3-...)
Show SMILES CC(C)C[C@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H37BrFNO5S/c1-20(2)15-27(40(37,38)26-13-11-25(33)12-14-26)18-29(35)28(17-23-9-6-10-24(32)16-23)34-30(36)19-39-31-21(3)7-5-8-22(31)4/h5-14,16,20,27-29,35H,15,17-19H2,1-4H3,(H,34,36)/t27-,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+3 -33.4 2.00E+3n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8121
PNG
((2R)-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dichlo...)
Show SMILES O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r|
Show InChI InChI=1S/C30H31BrCl2FNO5S/c31-21-4-1-3-19(15-21)16-27(35-30(37)29-5-2-14-40-29)28(36)18-25(11-7-20-6-8-22(32)17-26(20)33)41(38,39)24-12-9-23(34)10-13-24/h1,3-4,6,8-10,12-13,15,17,25,27-29,36H,2,5,7,11,14,16,18H2,(H,35,37)/t25-,27-,28+,29+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90E+3 -31.6 4.20E+3n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8120
PNG
(2-bromo-N-[(2S,3R,5S)-1-(3-bromophenyl)-7-(2,4-dic...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C34H32Br2Cl2FNO6S/c1-45-32-18-27(28(36)19-33(32)46-2)34(42)40-30(15-20-4-3-5-22(35)14-20)31(41)17-26(11-7-21-6-8-23(37)16-29(21)38)47(43,44)25-12-9-24(39)10-13-25/h3-6,8-10,12-14,16,18-19,26,30-31,41H,7,11,15,17H2,1-2H3,(H,40,42)/t26-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.10E+3 -31.4 4.50E+3n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8119
PNG
(Hydroxyethylene Sulfone 17c | N-[(2S,3R,5S)-1-(3-b...)
Show SMILES O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)COc1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C33H29BrCl4FNO5S/c34-22-3-1-2-20(14-22)15-30(40-33(42)19-45-32-13-7-24(36)17-29(32)38)31(41)18-27(10-5-21-4-6-23(35)16-28(21)37)46(43,44)26-11-8-25(39)9-12-26/h1-4,6-9,11-14,16-17,27,30-31,41H,5,10,15,18-19H2,(H,40,42)/t27-,30-,31+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.00E+3 -29.4 1.00E+4n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8122
PNG
((2R)-N-[(2R,3S,5R)-1-(3-bromophenyl)-7-(2,4-dichlo...)
Show SMILES O[C@@H](C[C@@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r|
Show InChI InChI=1S/C30H31BrCl2FNO5S/c31-21-4-1-3-19(15-21)16-27(35-30(37)29-5-2-14-40-29)28(36)18-25(11-7-20-6-8-22(32)17-26(20)33)41(38,39)24-12-9-23(34)10-13-24/h1,3-4,6,8-10,12-13,15,17,25,27-29,36H,2,5,7,11,14,16,18H2,(H,35,37)/t25-,27-,28+,29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.00E+4>-25.1>4.00E+4n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM8116
PNG
(Hydroxyethylene Sulfone 17a | N-[(2S,3R,5S)-1-(3-b...)
Show SMILES CC(C)CCS(=O)(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)CCS(C)(=O)=O |r|
Show InChI InChI=1S/C21H34BrNO6S2/c1-15(2)8-11-31(28,29)16(3)12-20(24)19(14-17-6-5-7-18(22)13-17)23-21(25)9-10-30(4,26)27/h5-7,13,15-16,19-20,24H,8-12,14H2,1-4H3,(H,23,25)/t16-,19-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4>-25.1>4.00E+4n/an/an/an/a5.525



Philipps-Universitat Marburg



Assay Description
The inhibition assays were performed by mixing enzyme and fluorogenic substrate in the presence of inhibitor compounds. The hydrolysis of the substra...


J Med Chem 48: 6607-19 (2005)


Article DOI: 10.1021/jm050224y
BindingDB Entry DOI: 10.7270/Q2416V8D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484445
PNG
(CHEMBL1916064)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(NC)cc1
Show InChI InChI=1S/C19H20N2O2/c1-4-23-19-13-15(7-10-18(19)22-3)17(11-12-20)14-5-8-16(21-2)9-6-14/h5-11,13,21H,4H2,1-3H3/b17-11-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484403
PNG
(CHEMBL1916063)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(N)c1
Show InChI InChI=1S/C19H20N2O3/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-20)13-5-7-17(22-2)16(21)11-13/h5-9,11-12H,4,21H2,1-3H3/b15-9-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484400
PNG
(CHEMBL1916075)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)CN)c1
Show InChI InChI=1S/C21H22N2O5/c1-4-27-19-11-14(5-7-17(19)25-2)16(9-10-22)15-6-8-18(26-3)20(12-15)28-21(24)13-23/h5-9,11-12H,4,13,23H2,1-3H3/b16-9+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484401
PNG
(CHEMBL1916065)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H22N2O2/c1-5-24-20-14-16(8-11-19(20)23-4)18(12-13-21)15-6-9-17(10-7-15)22(2)3/h6-12,14H,5H2,1-4H3/b18-12-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484405
PNG
(CHEMBL1915853)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-5-25-20-12-14(6-7-19(20)24-4)18(8-9-21)15-10-16(22-2)13-17(11-15)23-3/h6-8,10-13H,5H2,1-4H3/b18-8+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
DNA damage-binding protein 1/Protein cereblon


(Homo sapiens (Human))
BDBM65497
PNG
(CC-220 (Compound 6) | US9694015, 6.4S)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 60n/an/an/an/a7.0n/a



Celgene Corporation



Assay Description
The 6XHis-tagged full length human CRBN bound to full length human DDB1 used in the assay was purified as described elsewhere with the exception that...


J Med Chem 61: 535-542 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01921
BindingDB Entry DOI: 10.7270/Q2PC30HG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484442
PNG
(CHEMBL1916076)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)[C@H](C)N)c1 |r|
Show InChI InChI=1S/C22H24N2O5.ClH/c1-5-28-20-12-15(6-8-18(20)26-3)17(10-11-23)16-7-9-19(27-4)21(13-16)29-22(25)14(2)24;/h6-10,12-14H,5,24H2,1-4H3;1H/t14-;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484428
PNG
(CHEMBL1916060)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C19H18FNO3/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-21)13-5-7-17(22-2)16(20)11-13/h5-9,11-12H,4H2,1-3H3/b15-9-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484449
PNG
(CHEMBL1916066)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(c1)-n1cccc1
Show InChI InChI=1S/C23H22N2O3/c1-4-28-23-16-18(8-10-22(23)27-3)19(11-12-24)17-7-9-21(26-2)20(15-17)25-13-5-6-14-25/h5-11,13-16H,4H2,1-3H3/b19-11-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484406
PNG
(CHEMBL1915854)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OCC)c1
Show InChI InChI=1S/C21H23NO4/c1-5-25-20-13-15(7-9-18(20)23-3)17(11-12-22)16-8-10-19(24-4)21(14-16)26-6-2/h7-11,13-14H,5-6H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484432
PNG
(CHEMBL1916058)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(C)c1
Show InChI InChI=1S/C20H21NO3/c1-5-24-20-13-16(7-9-19(20)23-4)17(10-11-21)15-6-8-18(22-3)14(2)12-15/h6-10,12-13H,5H2,1-4H3/b17-10-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484429
PNG
(CHEMBL1915855)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H21NO4/c1-5-25-20-13-15(7-9-18(20)23-3)16(10-11-21)14-6-8-17(22-2)19(12-14)24-4/h6-10,12-13H,5H2,1-4H3/b16-10-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484435
PNG
(CHEMBL1916062)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C19H19NO4/c1-4-24-19-12-14(6-8-18(19)23-3)15(9-10-20)13-5-7-17(22-2)16(21)11-13/h5-9,11-12,21H,4H2,1-3H3/b15-9-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141539
PNG
(US8921404, 4)
Show SMILES CC1CCN(CC1)C(=O)Oc1nsc2ncccc12
Show InChI InChI=1S/C13H15N3O2S/c1-9-4-7-16(8-5-9)13(17)18-11-10-3-2-6-14-12(10)19-15-11/h2-3,6,9H,4-5,7-8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141538
PNG
(US8921404, 3)
Show SMILES FC(F)(F)C1CCN(CC1)C(=O)Oc1noc2cc(Cl)ccc12
Show InChI InChI=1S/C14H12ClF3N2O3/c15-9-1-2-10-11(7-9)23-19-12(10)22-13(21)20-5-3-8(4-6-20)14(16,17)18/h1-2,7-8H,3-6H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141540
PNG
(US8921404, 5)
Show SMILES CC1CCN(CC1)C(=O)Oc1nsc2ccccc12
Show InChI InChI=1S/C14H16N2O2S/c1-10-6-8-16(9-7-10)14(17)18-13-11-4-2-3-5-12(11)19-15-13/h2-5,10H,6-9H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484402
PNG
(CHEMBL1916059)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1cccc(OC)c1
Show InChI InChI=1S/C19H19NO3/c1-4-23-19-13-15(8-9-18(19)22-3)17(10-11-20)14-6-5-7-16(12-14)21-2/h5-10,12-13H,4H2,1-3H3/b17-10-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484434
PNG
(CHEMBL1916074)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)N(C)C)c1
Show InChI InChI=1S/C22H24N2O5/c1-6-28-20-13-15(7-9-18(20)26-4)17(11-12-23)16-8-10-19(27-5)21(14-16)29-22(25)24(2)3/h7-11,13-14H,6H2,1-5H3/b17-11+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141536
PNG
(US8921404, 1)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2cc(Cl)ccc12
Show InChI InChI=1S/C14H15ClN2O3/c1-9-4-6-17(7-5-9)14(18)19-13-11-3-2-10(15)8-12(11)20-16-13/h2-3,8-9H,4-7H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 120n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141537
PNG
(US8921404, 2)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2ncccc12
Show InChI InChI=1S/C13H15N3O3/c1-9-4-7-16(8-5-9)13(17)18-12-10-3-2-6-14-11(10)19-15-12/h2-3,6,9H,4-5,7-8H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 120n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484404
PNG
(CHEMBL1916077)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(OC(=O)[C@@H](N)C(C)C)c1 |r|
Show InChI InChI=1S/C24H28N2O5.ClH/c1-6-30-21-13-16(7-9-19(21)28-4)18(11-12-25)17-8-10-20(29-5)22(14-17)31-24(27)23(26)15(2)3;/h7-11,13-15,23H,6,26H2,1-5H3;1H/t23-;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216304
PNG
(CHEMBL313439)
Show SMILES CCOc1cc(ccc1OC)C(CC#N)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C20H18N2O4/c1-3-26-18-12-13(8-9-17(18)25-2)16(10-11-21)22-19(23)14-6-4-5-7-15(14)20(22)24/h4-9,12,16H,3,10H2,1-2H3
PDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484446
PNG
(CHEMBL1915843)
Show SMILES COc1cc(OC)cc(c1)C(=CC(C)=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H22O5/c1-13(21)8-18(14-6-7-19(24-4)20(11-14)25-5)15-9-16(22-2)12-17(10-15)23-3/h6-12H,1-5H3/b18-8-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484407
PNG
(CHEMBL1916073)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(NC(=O)[C@H](C)N)c1 |r|
Show InChI InChI=1S/C22H25N3O4.ClH/c1-5-29-21-13-16(7-9-20(21)28-4)17(10-11-23)15-6-8-19(27-3)18(12-15)25-22(26)14(2)24;/h6-10,12-14H,5,24H2,1-4H3,(H,25,26);1H/t14-;/m0./s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484408
PNG
(CHEMBL1915827)
Show SMILES COc1cc(OC)cc(c1)C(=C/C#N)\c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO4/c1-21-15-9-14(10-16(12-15)22-2)17(7-8-20)13-5-6-18(23-3)19(11-13)24-4/h5-7,9-12H,1-4H3/b17-7-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484409
PNG
(CHEMBL1915832)
Show SMILES COc1cccc(c1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO3/c1-20-15-6-4-5-13(11-15)16(9-10-19)14-7-8-17(21-2)18(12-14)22-3/h4-9,11-12H,1-3H3/b16-9-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484436
PNG
(CHEMBL1915831)
Show SMILES COc1ccc(cc1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO3/c1-20-15-7-4-13(5-8-15)16(10-11-19)14-6-9-17(21-2)18(12-14)22-3/h4-10,12H,1-3H3/b16-10-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484424
PNG
(CHEMBL1916061)
Show SMILES CCOc1cc(ccc1OC)C(=CC#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H19NO4S/c1-4-24-19-13-15(7-10-18(19)23-2)17(11-12-20)14-5-8-16(9-6-14)25(3,21)22/h5-11,13H,4H2,1-3H3/b17-11-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216301
PNG
(CHEMBL88475)
Show SMILES CCOc1cc(ccc1OC)C(CC(=O)OC)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C21H21NO6/c1-4-28-18-11-13(9-10-17(18)26-2)16(12-19(23)27-3)22-20(24)14-7-5-6-8-15(14)21(22)25/h5-11,16H,4,12H2,1-3H3
PDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141544
PNG
(US8921404, 11)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2nc(C)ccc12
Show InChI InChI=1S/C14H17N3O3/c1-9-5-7-17(8-6-9)14(18)19-13-11-4-3-10(2)15-12(11)20-16-13/h3-4,9H,5-8H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 260n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484433
PNG
(3,3-Bis(3,4-Dimethoxyphenyl)Acrylonitrile | CHEMBL...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=[#6]/C#N)\c1ccc(-[#8]-[#6])c(-[#8]-[#6])c1
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-13(11-18(16)23-3)15(9-10-20)14-6-8-17(22-2)19(12-14)24-4/h5-9,11-12H,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50216299
PNG
(CHEMBL315529)
Show SMILES COc1ccc(cc1OC1CCCC1)C(CC#N)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H22N2O4/c1-28-20-11-10-15(14-21(20)29-16-6-2-3-7-16)19(12-13-24)25-22(26)17-8-4-5-9-18(17)23(25)27/h4-5,8-11,14,16,19H,2-3,6-7,12H2,1H3
PDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 350n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484437
PNG
(CHEMBL1915825)
Show SMILES COc1cc(OC)cc(c1)C(=CC#N)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO4/c1-21-15-9-14(10-16(12-15)22-2)17(7-8-20)13-5-6-18(23-3)19(11-13)24-4/h5-7,9-12H,1-4H3/b17-7+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484410
PNG
(CHEMBL1916068)
Show SMILES [#6]-[#6]-[#8]-c1cc(ccc1-[#8]-[#6])-[#6](=[#6](\F)F)\c1ccc(-[#8]-[#6])c(-[#8])c1
Show InChI InChI=1S/C18H18F2O4/c1-4-24-16-10-12(6-8-15(16)23-3)17(18(19)20)11-5-7-14(22-2)13(21)9-11/h5-10,21H,4H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484425
PNG
(CHEMBL1916067)
Show SMILES CCOc1cc(ccc1OC)C(=C)c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H20O4/c1-5-22-18-11-14(7-9-17(18)21-4)12(2)13-6-8-16(20-3)15(19)10-13/h6-11,19H,2,5H2,1,3-4H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50052612
PNG
(3-(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)
Show SMILES COC(=O)CC(N1C(=O)c2ccc(N)cc2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-26-16-7-4-11(8-17(16)27-2)15(10-18(23)28-3)22-19(24)13-6-5-12(21)9-14(13)20(22)25/h4-9,15H,10,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs


J Med Chem 39: 3238-40 (1996)


Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484411
PNG
(CHEMBL1916072)
Show SMILES Cl.CCOc1cc(ccc1OC)C(=CC#N)c1ccc(OC)c(NC(=O)CN)c1
Show InChI InChI=1S/C21H23N3O4/c1-4-28-20-12-15(6-8-19(20)27-3)16(9-10-22)14-5-7-18(26-2)17(11-14)24-21(25)13-23/h5-9,11-12H,4,13,23H2,1-3H3,(H,24,25)/b16-9-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
n/an/a 400n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50052602
PNG
(3-(4-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)
Show SMILES COC(=O)CC(N1C(=O)c2cccc(N)c2C1=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20N2O6/c1-26-15-8-7-11(9-16(15)27-2)14(10-17(23)28-3)22-19(24)12-5-4-6-13(21)18(12)20(22)25/h4-9,14H,10,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs


J Med Chem 39: 3238-40 (1996)


Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50484443
PNG
(CHEMBL1916070)
Show SMILES CCOc1cc(ccc1OC)C(=CC)c1ccc(OC)c(N)c1
Show InChI InChI=1S/C19H23NO3/c1-5-15(13-7-9-17(21-3)16(20)11-13)14-8-10-18(22-4)19(12-14)23-6-2/h5,7-12H,6,20H2,1-4H3/b15-5-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4 expressed in U937 cells using [3H]cAMP as substrate after 30 mins


Bioorg Med Chem 19: 6356-74 (2011)


Article DOI: 10.1016/j.bmc.2011.08.068
BindingDB Entry DOI: 10.7270/Q2Z60RXK
More data for this
Ligand-Target Pair
Hormone-sensitive lipase


(Rattus norvegicus (Rat))
BDBM141543
PNG
(US8921404, 10)
Show SMILES CC1CCN(CC1)C(=O)Oc1noc2nc(Cl)ccc12
Show InChI InChI=1S/C13H14ClN3O3/c1-8-4-6-17(7-5-8)13(18)19-12-9-2-3-10(14)15-11(9)20-16-12/h2-3,8H,4-7H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/an/an/an/a7.037



Sanofi

US Patent


Assay Description
To prepare the substrate, 25-50 uCi of [3H]trioleoylglycerol (in toluene), 6.8 umol of unlabeled trioleoylglycerol and 0.6 mg of phospholipids (phosp...


US Patent US8921404 (2014)


BindingDB Entry DOI: 10.7270/Q24748KQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 119 total )  |  Next  |  Last  >>
Jump to: