BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'forster' and Initial = 'cj'   
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
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120757
PNG
(US8703761, 1-29)
Show SMILES CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C26H24N4O2S/c1-26(2,30-23(31)20-15-9-10-16-27-20)24(32)29-25-28-22(19-13-7-4-8-14-19)21(33-25)17-18-11-5-3-6-12-18/h3-16H,17H2,1-2H3,(H,30,31)(H,28,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=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)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472190
PNG
(CHEMBL167638)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(C1)C(O)=O
Show InChI InChI=1S/C18H24O4/c1-21-16-9-8-13(12-6-7-14(10-12)18(19)20)11-17(16)22-15-4-2-3-5-15/h8-9,11-12,14-15H,2-7,10H2,1H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143817
PNG
(CHEMBL3758618)
Show SMILES CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C31H48N2O6/c1-21(2)20-24(38-28(37)29(3,4)5)25(34)33-31(18-12-13-19-31)27(36)32-23(26(35)39-30(6,7)8)17-16-22-14-10-9-11-15-22/h9-11,14-15,21,23-24H,12-13,16-20H2,1-8H3,(H,32,36)(H,33,34)/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120755
PNG
(US8703761, 1-8)
Show SMILES COc1ccccc1C(=O)NC(C)(C)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C28H27N3O3S/c1-28(2,31-25(32)21-16-10-11-17-22(21)34-3)26(33)30-27-29-24(20-14-8-5-9-15-20)23(35-27)18-19-12-6-4-7-13-19/h4-17H,18H2,1-3H3,(H,31,32)(H,29,30,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 8.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239481
PNG
(CHEMBL4061308)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C
Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143818
PNG
(CHEMBL3759363)
Show SMILES CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)c1nc(no1)C1CC1 |r|
Show InChI InChI=1S/C31H44N4O5/c1-20(2)19-24(39-29(38)30(3,4)5)26(36)34-31(17-9-10-18-31)28(37)32-23(16-13-21-11-7-6-8-12-21)27-33-25(35-40-27)22-14-15-22/h6-8,11-12,20,22-24H,9-10,13-19H2,1-5H3,(H,32,37)(H,34,36)/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120756
PNG
(US8703761, 1-28)
Show SMILES CC(C)(NC(=O)c1ccc2occc2c1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C29H25N3O3S/c1-29(2,32-26(33)22-13-14-23-21(18-22)15-16-35-23)27(34)31-28-30-25(20-11-7-4-8-12-20)24(36-28)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,32,33)(H,30,31,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 11n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239482
PNG
(CHEMBL1683001)
Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239480
PNG
(CHEMBL4074410)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C
Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239484
PNG
(CHEMBL4103025)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143819
PNG
(CHEMBL3759790)
Show SMILES CCOC[C@H](CCc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CC1C2CC3CC(C2)CC1C3 |r,wU:4.4,TLB:34:33:31:27.28.29,THB:29:28:25:31.30.32,29:30:25:27.28.34,24:25:31:27.28.29,34:28:31:25.33.32,(4.59,-7.32,;4.65,-6.09,;6.03,-5.39,;6.11,-3.85,;7.48,-3.15,;8.77,-3.99,;8.69,-5.53,;9.98,-6.37,;9.9,-7.91,;11.19,-8.75,;12.56,-8.05,;12.64,-6.51,;11.35,-5.67,;7.56,-1.61,;6.27,-.77,;5.17,-1.33,;6.35,.77,;7.67,.04,;8.76,1.13,;8.06,2.5,;6.54,2.26,;5.06,1.61,;3.69,.91,;3.62,-.32,;2.4,1.75,;1.01,1.05,;-.28,1.69,;-1.04,.44,;-1.04,-1.32,;-2.25,-2.11,;-1.85,-.7,;-2.02,.73,;-.4,-.88,;1.11,-.36,;.37,-1.59,)|
Show InChI InChI=1S/C30H44N2O3/c1-2-35-20-26(11-10-21-8-4-3-5-9-21)31-29(34)30(12-6-7-13-30)32-28(33)19-27-24-15-22-14-23(17-24)18-25(27)16-22/h3-5,8-9,22-27H,2,6-7,10-20H2,1H3,(H,31,34)(H,32,33)/t22?,23?,24?,25?,26-,27?/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239483
PNG
(CHEMBL4088335)
Show SMILES Cc1cc(CC(C)(C)C(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C30H28N4O3/c1-17-13-19(16-30(3,4)29(36)37)14-18(2)26(17)27-32-23-11-9-21(15-24(23)33-27)28(35)34-25-12-10-20-7-5-6-8-22(20)31-25/h5-15H,16H2,1-4H3,(H,32,33)(H,36,37)(H,31,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472191
PNG
(CHEMBL167166)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccc(N)cc2)C(=O)C1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472193
PNG
(CHEMBL352628)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C#N
Show InChI InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=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)/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472187
PNG
(CHEMBL169746)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(=O)C1
Show InChI InChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 45n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239486
PNG
(CHEMBL4062866)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H11Cl3N4O/c22-13-7-4-11(5-8-13)20-27-28-21(29-20)12-6-9-16-17(10-12)26-19(25-16)18-14(23)2-1-3-15(18)24/h1-10H,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472198
PNG
(CHEMBL354447)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2ccc(N)cc2)C(=O)C1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3
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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120759
PNG
(US8703761, 8-1)
Show SMILES O=C(CC1CCCC1)N1CCC[C@H]1C(=O)Nc1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C27H29N3O2/c31-26(17-19-9-4-5-10-19)30-16-8-15-24(30)27(32)29-25-18-22(20-11-2-1-3-12-20)21-13-6-7-14-23(21)28-25/h1-3,6-7,11-14,18-19,24H,4-5,8-10,15-17H2,(H,28,29,32)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120753
PNG
(US8703761, 1-1)
Show SMILES CCOc1ccc(cc1OCC)C(=O)NC(C)(C)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-5-37-24-18-17-23(20-25(24)38-6-2)28(35)34-31(3,4)29(36)33-30-32-27(22-15-11-8-12-16-22)26(39-30)19-21-13-9-7-10-14-21/h7-18,20H,5-6,19H2,1-4H3,(H,34,35)(H,32,33,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 60.5n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50143883
PNG
(CHEMBL3759471)
Show SMILES Cc1cc(F)ccc1-n1nc(NC(=O)C(C)(C)NC(=O)C2(CC2)C(F)(F)F)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H22F5N5O2/c1-13-12-16(26)8-9-17(13)34-18(14-4-6-15(25)7-5-14)30-21(33-34)31-19(35)22(2,3)32-20(36)23(10-11-23)24(27,28)29/h4-9,12H,10-11H2,1-3H3,(H,32,36)(H,31,33,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.025
BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472189
PNG
(CHEMBL167486)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(=O)CC1
Show InChI InChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3
PDB

UniProtKB/SwissProt

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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472199
PNG
(CHEMBL169537)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C#C
Show InChI InChI=1S/C20H24O3/c1-3-20(12-10-16(21)11-13-20)15-8-9-18(22-2)19(14-15)23-17-6-4-5-7-17/h1,8-9,14,17H,4-7,10-13H2,2H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472197
PNG
(CHEMBL352857)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)c1nnn[nH]1)C#N
Show InChI InChI=1S/C20H25N5O2/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19-22-24-25-23-19/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23,24,25)
PDB

UniProtKB/SwissProt

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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472192
PNG
(CHEMBL167258)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(CC1)C(O)=O |(-6.11,-6.42,;-6.11,-4.88,;-4.76,-4.13,;-3.45,-4.9,;-2.11,-4.13,;-2.11,-2.59,;-3.45,-1.83,;-4.76,-2.59,;-6.11,-1.83,;-7.43,-2.59,;-7.43,-4.11,;-9.09,-4.45,;-9.85,-3.12,;-8.83,-1.96,;-.79,-1.8,;.17,-3.3,;2.11,-2.48,;3.5,-2.88,;2.54,-1.38,;.7,-2.21,;4.98,-2.48,;6.06,-3.57,;5.38,-.99,)|
Show InChI InChI=1S/C19H26O4/c1-22-17-11-10-15(12-18(17)23-16-4-2-3-5-16)13-6-8-14(9-7-13)19(20)21/h10-14,16H,2-9H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472193
PNG
(CHEMBL352628)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C#N
Show InChI InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472189
PNG
(CHEMBL167486)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(=O)CC1
Show InChI InChI=1S/C18H24O3/c1-20-17-11-8-14(13-6-9-15(19)10-7-13)12-18(17)21-16-4-2-3-5-16/h8,11-13,16H,2-7,9-10H2,1H3
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



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239485
PNG
(CHEMBL4060245)
Show SMILES Clc1ccc(cc1)-c1cnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H12Cl3N3O/c23-14-7-4-12(5-8-14)19-11-26-22(29-19)13-6-9-17-18(10-13)28-21(27-17)20-15(24)2-1-3-16(20)25/h1-11H,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))		BDBM50239480
PNG
(CHEMBL4074410)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C
Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against purine nucleoside phosphorylase (PNPase )

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Mus musculus (mouse))		BDBM50239481
PNG
(CHEMBL4061308)
Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C
Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 181n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of DGTA1 in mouse C2C12 cells assessed as inhibition of triglyceride formation after 2 hrs by LC/MS/MS analysis

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472191
PNG
(CHEMBL167166)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccc(N)cc2)C(=O)C1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 195n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120758
PNG
(US8703761, 6-14)
Show SMILES CC(C)(NC(=O)c1cncs1)C(=O)Nc1nc(c(Oc2ccc(F)cc2)s1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H18F2N4O3S2/c1-23(2,29-19(30)17-11-26-12-33-17)21(31)28-22-27-18(13-3-5-14(24)6-4-13)20(34-22)32-16-9-7-15(25)8-10-16/h3-12H,1-2H3,(H,29,30)(H,27,28,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 197n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120763
PNG
(US8703761, 14-4)
Show SMILES CC(C)(NC(=O)c1ccccn1)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1
Show InChI InChI=1S/C25H23FN6O2/c1-25(2,30-22(33)20-10-6-7-15-27-20)23(34)29-24-28-21(18-11-13-19(26)14-12-18)32(31-24)16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,30,33)(H,29,31,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 225n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120760
PNG
(US8703761, 8-2)
Show SMILES Cc1ccc(cc1)-c1cc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc(c1)-c1ccccc1
Show InChI InChI=1S/C28H31N3O3/c1-19-12-14-20(15-13-19)22-17-23(21-9-6-5-7-10-21)29-25(18-22)30-26(32)24-11-8-16-31(24)27(33)34-28(2,3)4/h5-7,9-10,12-15,17-18,24H,8,11,16H2,1-4H3,(H,29,30,32)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 [89-488]


(Homo sapiens (Human))		BDBM120754
PNG
(US8703761, 1-6)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1ccccc1
Show InChI InChI=1S/C26H24FN3O3S2/c1-26(2,30-35(32,33)21-15-13-20(27)14-16-21)24(31)29-25-28-23(19-11-7-4-8-12-19)22(34-25)17-18-9-5-3-6-10-18/h3-16,30H,17H2,1-2H3,(H,28,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 241n/an/an/an/a7.54



Novartis AG

US Patent


Assay Description
The enzyme preparation used in this assay is a membrane preparation from Sf9 cells overexpressing human (His)6DGAT1. During all steps samples were ch...

US Patent US8703761 (2014)


BindingDB Entry DOI: 10.7270/Q2057DM1
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50239479
PNG
(CHEMBL4088473)
Show SMILES Clc1ccc(NC(=O)c2ccc3nc([nH]c3c2)-c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H12Cl3N3O/c21-12-5-7-13(8-6-12)24-20(27)11-4-9-16-17(10-11)26-19(25-16)18-14(22)2-1-3-15(18)23/h1-10H,(H,24,27)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...

J Med Chem 60: 4657-4664 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00173
BindingDB Entry DOI: 10.7270/Q2B27XF2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472199
PNG
(CHEMBL169537)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C#C
Show InChI InChI=1S/C20H24O3/c1-3-20(12-10-16(21)11-13-20)15-8-9-18(22-2)19(14-15)23-17-6-4-5-7-17/h1,8-9,14,17H,4-7,10-13H2,2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=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)/t12-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472195
PNG
(CHEMBL166529)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C(N)=O
Show InChI InChI=1S/C19H25NO4/c1-23-16-7-6-13(12-17(16)24-15-4-2-3-5-15)19(18(20)22)10-8-14(21)9-11-19/h6-7,12,15H,2-5,8-11H2,1H3,(H2,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472198
PNG
(CHEMBL354447)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CN(Cc2ccc(N)cc2)C(=O)C1
Show InChI InChI=1S/C23H28N2O3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15,24H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472194
PNG
(CHEMBL169834)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C=O
Show InChI InChI=1S/C19H24O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12-13,16H,2-5,8-11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50472194
PNG
(CHEMBL169834)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C=O
Show InChI InChI=1S/C19H24O4/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12-13,16H,2-5,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))		BDBM50472187
PNG
(CHEMBL169746)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CCC(=O)C1
Show InChI InChI=1S/C17H22O3/c1-19-16-9-7-13(12-6-8-14(18)10-12)11-17(16)20-15-4-2-3-5-15/h7,9,11-12,15H,2-6,8,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition activity against human monocyte derived PDE4 catalytic activity (LPDE4)

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Competition of [3H]rolipram binding sites in the central nervous system (HPDE4) in rat brain cytosol

J Med Chem 41: 821-35 (1998)


Article DOI: 10.1021/jm970090r
BindingDB Entry DOI: 10.7270/Q2WD439M
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>
Jump to: