BindingDB logo
myBDB logout

17 similar compounds to monomer 50314406

Compile data set for download or QSAR
Wt: 448.6
BDBM42997
Purchase
Wt: 382.4
BDBM63774
Purchase
Wt: 440.6
BDBM78868
Purchase
Wt: 440.5
BDBM84198
Purchase
Wt: 440.5
BDBM87389
Purchase
Wt: 526.6
BDBM50328090
Wt: 482.6
BDBM50328091
Wt: 460.5
BDBM50328093
Wt: 426.5
BDBM50328095
Wt: 466.6
BDBM50328099
Wt: 460.5
BDBM50328100
Wt: 494.6
BDBM50328102
Wt: 495.6
BDBM50328110
Wt: 489.6
BDBM50328112
Wt: 468.6
BDBM50328113
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 42997,63774,78868,84198,87389,50328090,50328091,50328093,50328095,50328099,50328100,50328102,50328110,50328112,50328113   
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
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42997
PNG
(8-Benzylsulfanyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
Show InChI InChI=1S/C24H24N4OS2/c1-2-6-16(7-3-1)14-30-24-21-20(25-15-26-24)19-17-8-4-5-9-18(17)22(27-23(19)31-21)28-10-12-29-13-11-28/h1-3,6-7,15H,4-5,8-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328113
PNG
(1,1-Dimethyl-4-morpholin-4-yl-N7-(2-morpholin-4-yl...)
Show SMILES CC1(C)CCc2c1c1c(nc2N2CCOCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C24H32N6O2S/c1-24(2)4-3-16-18(24)17-19-20(33-23(17)28-22(16)30-9-13-32-14-10-30)21(27-15-26-19)25-5-6-29-7-11-31-12-8-29/h15H,3-14H2,1-2H3,(H,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 274n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42997
PNG
(8-Benzylsulfanyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
Show InChI InChI=1S/C24H24N4OS2/c1-2-6-16(7-3-1)14-30-24-21-20(25-15-26-24)19-17-8-4-5-9-18(17)22(27-23(19)31-21)28-10-12-29-13-11-28/h1-3,6-7,15H,4-5,8-14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.86E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM63774
PNG
(Allyl-(5-morpholin-4-yl-1,2,3,4-tetrahydro-7-thia-...)
Show SMILES C=CCNc1nnnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
Show InChI InChI=1S/C19H22N6OS/c1-2-7-20-17-16-15(22-24-23-17)14-12-5-3-4-6-13(12)18(21-19(14)27-16)25-8-10-26-11-9-25/h2H,1,3-11H2,(H,20,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78868
PNG
(MLS000779371 | N,N-Diethyl-N'-(5-morpholin-4-y...)
Show SMILES CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
Show InChI InChI=1S/C23H32N6OS/c1-3-28(4-2)10-9-24-21-20-19(25-15-26-21)18-16-7-5-6-8-17(16)22(27-23(18)31-20)29-11-13-30-14-12-29/h15H,3-14H2,1-2H3,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM84198
PNG
(MLS000082579 | SMR000044730 | cid_663855)
Show SMILES C(CN1CCOCC1)Nc1ncnc2c1sc1nc(N3CCOCC3)c3CCCc3c21
Show InChI InChI=1S/C22H28N6O2S/c1-2-15-16(3-1)21(28-8-12-30-13-9-28)26-22-17(15)18-19(31-22)20(25-14-24-18)23-4-5-27-6-10-29-11-7-27/h14H,1-13H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.34E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2RB734K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM87389
PNG
(MLS000082580 | SMR000044805 | cid_663821)
Show SMILES OCCN1CCN(CC1)c1ncnc2c1sc1nc(N3CCOCC3)c3CCCc3c21
Show InChI InChI=1S/C22H28N6O2S/c29-11-8-26-4-6-27(7-5-26)21-19-18(23-14-24-21)17-15-2-1-3-16(15)20(25-22(17)31-19)28-9-12-30-13-10-28/h14,29H,1-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2RB736G
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328090
PNG
(2-[(2,2-Dimethyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(ncnc12)N(CCO)CCN1CCOCC1
Show InChI InChI=1S/C27H38N6O3S/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328090
PNG
(2-[(2,2-Dimethyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(ncnc12)N(CCO)CCN1CCOCC1
Show InChI InChI=1S/C27H38N6O3S/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328091
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(2-morpholin-4-yle...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6O2S/c1-25(2)4-3-17-18(15-25)19-20-21(34-24(19)29-23(17)31-9-13-33-14-10-31)22(28-16-27-20)26-5-6-30-7-11-32-12-8-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328093
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-3-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3cccnc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-5-17-18(12-25)19-20-21(33-24(19)30-23(17)31-8-10-32-11-9-31)22(29-15-28-20)27-14-16-4-3-7-26-13-16/h3-4,7,13,15H,5-6,8-12,14H2,1-2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328095
PNG
(CHEMBL1258806 | N5,2,2-Trimethyl-N8-(2-morpholin-4...)
Show SMILES CNc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C22H30N6OS/c1-22(2)5-4-14-15(12-22)16-17-18(30-21(16)27-19(14)23-3)20(26-13-25-17)24-6-7-28-8-10-29-11-9-28/h13H,4-12H2,1-3H3,(H,23,27)(H,24,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328093
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-3-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3cccnc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-5-17-18(12-25)19-20-21(33-24(19)30-23(17)31-8-10-32-11-9-31)22(29-15-28-20)27-14-16-4-3-7-26-13-16/h3-4,7,13,15H,5-6,8-12,14H2,1-2H3,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328091
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(2-morpholin-4-yle...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6O2S/c1-25(2)4-3-17-18(15-25)19-20-21(34-24(19)29-23(17)31-9-13-33-14-10-31)22(28-16-27-20)26-5-6-30-7-11-32-12-8-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328090
PNG
(2-[(2,2-Dimethyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(ncnc12)N(CCO)CCN1CCOCC1
Show InChI InChI=1S/C27H38N6O3S/c1-27(2)4-3-19-20(17-27)21-22-23(37-26(21)30-24(19)33-10-15-36-16-11-33)25(29-18-28-22)32(7-12-34)6-5-31-8-13-35-14-9-31/h18,34H,3-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.05n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328095
PNG
(CHEMBL1258806 | N5,2,2-Trimethyl-N8-(2-morpholin-4...)
Show SMILES CNc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C22H30N6OS/c1-22(2)5-4-14-15(12-22)16-17-18(30-21(16)27-19(14)23-3)20(26-13-25-17)24-6-7-28-8-10-29-11-9-28/h13H,4-12H2,1-3H3,(H,23,27)(H,24,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328100
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3ccncc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328100
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3ccncc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328095
PNG
(CHEMBL1258806 | N5,2,2-Trimethyl-N8-(2-morpholin-4...)
Show SMILES CNc1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C22H30N6OS/c1-22(2)5-4-14-15(12-22)16-17-18(30-21(16)27-19(14)23-3)20(26-13-25-17)24-6-7-28-8-10-29-11-9-28/h13H,4-12H2,1-3H3,(H,23,27)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328102
PNG
(1-(3-{[5-Morpholin-4-yl)-2,2-dimethyl-1,2,3,4-tetr...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCCN3CCCC3=O)ncnc12
Show InChI InChI=1S/C26H34N6O2S/c1-26(2)7-6-17-18(15-26)20-21-22(35-25(20)30-24(17)32-11-13-34-14-12-32)23(29-16-28-21)27-8-4-10-31-9-3-5-19(31)33/h16H,3-15H2,1-2H3,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328100
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-4-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3ccncc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328102
PNG
(1-(3-{[5-Morpholin-4-yl)-2,2-dimethyl-1,2,3,4-tetr...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCCN3CCCC3=O)ncnc12
Show InChI InChI=1S/C26H34N6O2S/c1-26(2)7-6-17-18(15-26)20-21-22(35-25(20)30-24(17)32-11-13-34-14-12-32)23(29-16-28-21)27-8-4-10-31-9-3-5-19(31)33/h16H,3-15H2,1-2H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328093
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(pyridin-3-ylmethy...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCc3cccnc3)ncnc12
Show InChI InChI=1S/C25H28N6OS/c1-25(2)6-5-17-18(12-25)19-20-21(33-24(19)30-23(17)31-8-10-32-11-9-31)22(29-15-28-20)27-14-16-4-3-7-26-13-16/h3-4,7,13,15H,5-6,8-12,14H2,1-2H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328099
PNG
(2,2-Dimethyl-N-(2-morpholin-4-ylethyl)-5-pyrrolidi...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6OS/c1-25(2)6-5-17-18(15-25)19-20-21(33-24(19)29-23(17)31-8-3-4-9-31)22(28-16-27-20)26-7-10-30-11-13-32-14-12-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50328102
PNG
(1-(3-{[5-Morpholin-4-yl)-2,2-dimethyl-1,2,3,4-tetr...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCCN3CCCC3=O)ncnc12
Show InChI InChI=1S/C26H34N6O2S/c1-26(2)7-6-17-18(15-26)20-21-22(35-25(20)30-24(17)32-11-13-34-14-12-32)23(29-16-28-21)27-8-4-10-31-9-3-5-19(31)33/h16H,3-15H2,1-2H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4D3 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50328091
PNG
(2,2-Dimethyl-5-morpholin-4-yl-N-(2-morpholin-4-yle...)
Show SMILES CC1(C)CCc2c(C1)c1c(nc2N2CCOCC2)sc2c(NCCN3CCOCC3)ncnc12
Show InChI InChI=1S/C25H34N6O2S/c1-25(2)4-3-17-18(15-25)19-20-21(34-24(19)29-23(17)31-9-13-33-14-10-31)22(28-16-27-20)26-5-6-30-7-11-32-12-8-30/h16H,3-15H2,1-2H3,(H,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4A4 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328110
PNG
(2,2-Dimethyl-5-(4-methylpiperazin-1-yl)-N-(2-morph...)
Show SMILES CN1CCN(CC1)c1nc2sc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C26H37N7OS/c1-26(2)5-4-18-19(16-26)20-21-22(35-25(20)30-24(18)33-10-8-31(3)9-11-33)23(29-17-28-21)27-6-7-32-12-14-34-15-13-32/h17H,4-16H2,1-3H3,(H,27,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50328112
PNG
(CHEMBL1257777 | N-(2-Methoxybenzyl)-2,2-dimethyl-5...)
Show SMILES COc1ccccc1CNc1ncnc2c1sc1nc(N3CCOCC3)c3CCC(C)(C)Cc3c21
Show InChI InChI=1S/C27H31N5O2S/c1-27(2)9-8-18-19(14-27)21-22-23(35-26(21)31-25(18)32-10-12-34-13-11-32)24(30-16-29-22)28-15-17-6-4-5-7-20(17)33-3/h4-7,16H,8-15H2,1-3H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of PDE4B1 expressed in yeast


J Med Chem 53: 6912-22 (2010)


Article DOI: 10.1021/jm100524j
BindingDB Entry DOI: 10.7270/Q2J966K2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42997
PNG
(8-Benzylsulfanyl-5-morpholin-4-yl-1,2,3,4-tetrahyd...)
Show SMILES C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
Show InChI InChI=1S/C24H24N4OS2/c1-2-6-16(7-3-1)14-30-24-21-20(25-15-26-24)19-17-8-4-5-9-18(17)22(27-23(19)31-21)28-10-12-29-13-11-28/h1-3,6-7,15H,4-5,8-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>7.94E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair