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Compile Data Set for Download or QSAR

Found 61 hits from Amakem N.V.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.400n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.700n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442811
PNG
(CHEMBL2440742)
Show SMILES CC(N)c1ccc(cc1-c1ccc(F)cc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C20H18FN3O/c1-13(22)18-7-4-15(20(25)24-17-8-10-23-11-9-17)12-19(18)14-2-5-16(21)6-3-14/h2-13H,22H2,1H3,(H,23,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442812
PNG
(CHEMBL2440735)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCCO)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C22H20FN3O4/c23-19-13-25-7-6-20(19)26-21(28)15-4-5-17(12-24)18(11-15)14-2-1-3-16(10-14)22(29)30-9-8-27/h1-7,10-11,13,27H,8-9,12,24H2,(H,25,26,28)
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n/an/a 1.40n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442814
PNG
(CHEMBL2440745)
Show SMILES CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C23H23N3O3/c1-2-12-29-23(28)18-5-3-4-16(13-18)21-14-17(6-7-19(21)15-24)22(27)26-20-8-10-25-11-9-20/h3-11,13-14H,2,12,15,24H2,1H3,(H,25,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442809
PNG
(CHEMBL2440733)
Show SMILES COCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C24H25N3O4/c1-30-12-3-13-31-24(29)19-5-2-4-17(14-19)22-15-18(6-7-20(22)16-25)23(28)27-21-8-10-26-11-9-21/h2,4-11,14-15H,3,12-13,16,25H2,1H3,(H,26,27,28)
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n/an/a 1.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023416
PNG
(CHEMBL3327325)
Show SMILES FC(F)Oc1ccc(cc1OCCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H20Cl2F2N2O5S/c22-13-10-26-11-14(23)18(13)27-19(28)12-3-4-15(32-21(24)25)16(9-12)30-6-1-2-8-33-17-5-7-31-20(17)29/h3-4,9-11,17,21H,1-2,5-8H2,(H,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023412
PNG
(CHEMBL3327321)
Show SMILES FC(F)Oc1ccc(cc1OCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442817
PNG
(CHEMBL2440737)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCO1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C25H24FN3O4/c26-22-14-28-9-8-23(22)29-24(30)17-6-7-19(13-27)21(12-17)16-3-1-4-18(11-16)25(31)33-15-20-5-2-10-32-20/h1,3-4,6-9,11-12,14,20H,2,5,10,13,15,27H2,(H,28,29,30)
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n/an/a 2.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442821
PNG
(CHEMBL2440730)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CC1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C24H22FN3O3/c25-21-13-27-9-8-22(21)28-23(29)17-6-7-19(12-26)20(11-17)16-2-1-3-18(10-16)24(30)31-14-15-4-5-15/h1-3,6-11,13,15H,4-5,12,14,26H2,(H,27,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442816
PNG
(CHEMBL2440743)
Show SMILES COC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H19N3O3/c1-27-21(26)16-4-2-3-14(11-16)19-12-15(5-6-17(19)13-22)20(25)24-18-7-9-23-10-8-18/h2-12H,13,22H2,1H3,(H,23,24,25)
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n/an/a 2.90n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442808
PNG
(CHEMBL2440732)
Show SMILES COCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C23H23N3O4/c1-29-11-12-30-23(28)18-4-2-3-16(13-18)21-14-17(5-6-19(21)15-24)22(27)26-20-7-9-25-10-8-20/h2-10,13-14H,11-12,15,24H2,1H3,(H,25,26,27)
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n/an/a 3.60n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023414
PNG
(CHEMBL3327323)
Show SMILES FC(F)Oc1ccc(cc1OCCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29)
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n/an/a 4n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442820
PNG
(CHEMBL2440756)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCC1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C25H24FN3O3/c26-22-14-28-10-9-23(22)29-24(30)18-7-8-20(13-27)21(12-18)17-5-2-6-19(11-17)25(31)32-15-16-3-1-4-16/h2,5-12,14,16H,1,3-4,13,15,27H2,(H,28,29,30)
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n/an/a 4.30n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023417
PNG
(CHEMBL3327326)
Show SMILES OCCC(SCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C21H22Cl2F2N2O6S/c22-13-10-26-11-14(23)18(13)27-19(29)12-3-4-15(33-21(24)25)16(9-12)32-7-1-2-8-34-17(5-6-28)20(30)31/h3-4,9-11,17,21,28H,1-2,5-8H2,(H,30,31)(H,26,27,29)
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n/an/a 4.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023416
PNG
(CHEMBL3327325)
Show SMILES FC(F)Oc1ccc(cc1OCCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H20Cl2F2N2O5S/c22-13-10-26-11-14(23)18(13)27-19(28)12-3-4-15(32-21(24)25)16(9-12)30-6-1-2-8-33-17-5-7-31-20(17)29/h3-4,9-11,17,21H,1-2,5-8H2,(H,26,27,28)
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n/an/a 4.70n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442822
PNG
(CHEMBL2440747)
Show SMILES CCCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C25H27N3O3/c1-2-3-4-14-31-25(30)20-7-5-6-18(15-20)23-16-19(8-9-21(23)17-26)24(29)28-22-10-12-27-13-11-22/h5-13,15-16H,2-4,14,17,26H2,1H3,(H,27,28,29)
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n/an/a 4.90n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442831
PNG
(CHEMBL2440753)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C26H27N3O3/c27-16-22-9-8-20(25(30)29-23-10-12-28-13-11-23)15-24(22)19-6-3-7-21(14-19)26(31)32-17-18-4-1-2-5-18/h3,6-15,18H,1-2,4-5,16-17,27H2,(H,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442825
PNG
(CHEMBL2440750)
Show SMILES CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C23H22FN3O3/c1-2-10-30-23(29)17-5-3-4-15(11-17)19-12-16(6-7-18(19)13-25)22(28)27-21-8-9-26-14-20(21)24/h3-9,11-12,14H,2,10,13,25H2,1H3,(H,26,27,28)
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n/an/a 5.10n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023389
PNG
(CHEMBL3327315)
Show SMILES FC(F)Oc1ccc(cc1OCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)
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n/an/a 5.40n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023413
PNG
(CHEMBL3327322)
Show SMILES OCCC(SCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C20H20Cl2F2N2O6S/c21-12-9-25-10-13(22)17(12)26-18(28)11-2-3-14(32-20(23)24)15(8-11)31-6-1-7-33-16(4-5-27)19(29)30/h2-3,8-10,16,20,27H,1,4-7H2,(H,29,30)(H,25,26,28)
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n/an/a 5.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023412
PNG
(CHEMBL3327321)
Show SMILES FC(F)Oc1ccc(cc1OCCCSC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H18Cl2F2N2O5S/c21-12-9-25-10-13(22)17(12)26-18(27)11-2-3-14(31-20(23)24)15(8-11)29-5-1-7-32-16-4-6-30-19(16)28/h2-3,8-10,16,20H,1,4-7H2,(H,25,26,27)
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n/an/a 5.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442815
PNG
(CHEMBL2440746)
Show SMILES CCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C24H25N3O3/c1-2-3-13-30-24(29)19-6-4-5-17(14-19)22-15-18(7-8-20(22)16-25)23(28)27-21-9-11-26-12-10-21/h4-12,14-15H,2-3,13,16,25H2,1H3,(H,26,27,28)
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n/an/a 5.5n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442827
PNG
(CHEMBL2440752)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)Oc1ccccc1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C26H20FN3O3/c27-23-16-29-12-11-24(23)30-25(31)18-9-10-20(15-28)22(14-18)17-5-4-6-19(13-17)26(32)33-21-7-2-1-3-8-21/h1-14,16H,15,28H2,(H,29,30,31)
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n/an/a 6.20n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023414
PNG
(CHEMBL3327323)
Show SMILES FC(F)Oc1ccc(cc1OCCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C21H21Cl2F2N3O5/c22-13-10-26-11-14(23)18(13)28-19(29)12-3-4-16(33-21(24)25)17(9-12)31-7-2-1-6-27-15-5-8-32-20(15)30/h3-4,9-11,15,21,27H,1-2,5-8H2,(H,26,28,29)
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n/an/a 6.60n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023403
PNG
(CHEMBL3327316)
Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442824
PNG
(CHEMBL2440749)
Show SMILES COC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C21H18FN3O3/c1-28-21(27)15-4-2-3-13(9-15)17-10-14(5-6-16(17)11-23)20(26)25-19-7-8-24-12-18(19)22/h2-10,12H,11,23H2,1H3,(H,24,25,26)
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n/an/a 7.80n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442813
PNG
(CHEMBL2440736)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OC1CCCOC1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C25H24FN3O4/c26-22-14-28-9-8-23(22)29-24(30)17-6-7-19(13-27)21(12-17)16-3-1-4-18(11-16)25(31)33-20-5-2-10-32-15-20/h1,3-4,6-9,11-12,14,20H,2,5,10,13,15,27H2,(H,28,29,30)
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n/an/a 8.70n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023417
PNG
(CHEMBL3327326)
Show SMILES OCCC(SCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C21H22Cl2F2N2O6S/c22-13-10-26-11-14(23)18(13)27-19(29)12-3-4-15(33-21(24)25)16(9-12)32-7-1-2-8-34-17(5-6-28)20(30)31/h3-4,9-11,17,21,28H,1-2,5-8H2,(H,30,31)(H,26,27,29)
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n/an/a 8.80n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023413
PNG
(CHEMBL3327322)
Show SMILES OCCC(SCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C20H20Cl2F2N2O6S/c21-12-9-25-10-13(22)17(12)26-18(28)11-2-3-14(32-20(23)24)15(8-11)31-6-1-7-33-16(4-5-27)19(29)30/h2-3,8-10,16,20,27H,1,4-7H2,(H,29,30)(H,25,26,28)
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n/an/a 9.90n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023407
PNG
(CHEMBL3327317)
Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442818
PNG
(CHEMBL2440738)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCCO1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C26H26FN3O4/c27-23-15-29-10-9-24(23)30-25(31)18-7-8-20(14-28)22(13-18)17-4-3-5-19(12-17)26(32)34-16-21-6-1-2-11-33-21/h3-5,7-10,12-13,15,21H,1-2,6,11,14,16,28H2,(H,29,30,31)
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n/an/a 12n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023403
PNG
(CHEMBL3327316)
Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442829
PNG
(CHEMBL2440755)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCC1)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C26H26FN3O3/c27-23-15-29-11-10-24(23)30-25(31)19-8-9-21(14-28)22(13-19)18-6-3-7-20(12-18)26(32)33-16-17-4-1-2-5-17/h3,6-13,15,17H,1-2,4-5,14,16,28H2,(H,29,30,31)
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n/an/a 13n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023389
PNG
(CHEMBL3327315)
Show SMILES FC(F)Oc1ccc(cc1OCCCNC1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)
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n/an/a 18n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442826
PNG
(CHEMBL2440751)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OC1CCCCC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C26H27N3O3/c27-17-21-10-9-19(25(30)29-22-11-13-28-14-12-22)16-24(21)18-5-4-6-20(15-18)26(31)32-23-7-2-1-3-8-23/h4-6,9-16,23H,1-3,7-8,17,27H2,(H,28,29,30)
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n/an/a 20n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023419
PNG
(CHEMBL3327328)
Show SMILES COC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C19H19Cl2F2N3O5/c1-29-16(27)10-24-5-2-6-30-15-7-11(3-4-14(15)31-19(22)23)18(28)26-17-12(20)8-25-9-13(17)21/h3-4,7-9,19,24H,2,5-6,10H2,1H3,(H,25,26,28)
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n/an/a 21n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442823
PNG
(CHEMBL2440748)
Show SMILES CCCCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C26H29N3O3/c1-2-3-4-5-15-32-26(31)21-8-6-7-19(16-21)24-17-20(9-10-22(24)18-27)25(30)29-23-11-13-28-14-12-23/h6-14,16-17H,2-5,15,18,27H2,1H3,(H,28,29,30)
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n/an/a 22n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023419
PNG
(CHEMBL3327328)
Show SMILES COC(=O)CNCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C19H19Cl2F2N3O5/c1-29-16(27)10-24-5-2-6-30-15-7-11(3-4-14(15)31-19(22)23)18(28)26-17-12(20)8-25-9-13(17)21/h3-4,7-9,19,24H,2,5-6,10H2,1H3,(H,25,26,28)
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n/an/a 32n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442807
PNG
(CHEMBL2440734)
Show SMILES CC(C)OCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C25H26FN3O4/c1-16(2)32-10-11-33-25(31)19-5-3-4-17(12-19)21-13-18(6-7-20(21)14-27)24(30)29-23-8-9-28-15-22(23)26/h3-9,12-13,15-16H,10-11,14,27H2,1-2H3,(H,28,29,30)
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n/an/a 37n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442819
PNG
(CHEMBL2440731)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCc1ccccc1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C27H23N3O3/c28-17-23-10-9-21(26(31)30-24-11-13-29-14-12-24)16-25(23)20-7-4-8-22(15-20)27(32)33-18-19-5-2-1-3-6-19/h1-16H,17-18,28H2,(H,29,30,31)
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n/an/a 45n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023407
PNG
(CHEMBL3327317)
Show SMILES FC(F)Oc1ccc(cc1OCCCN[C@H]1CCOC1=O)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H19Cl2F2N3O5/c21-12-9-25-10-13(22)17(12)27-18(28)11-2-3-15(32-20(23)24)16(8-11)30-6-1-5-26-14-4-7-31-19(14)29/h2-3,8-10,14,20,26H,1,4-7H2,(H,25,27,28)/t14-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442830
PNG
(CHEMBL2440754)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCCC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C27H29N3O3/c28-17-23-10-9-21(26(31)30-24-11-13-29-14-12-24)16-25(23)20-7-4-8-22(15-20)27(32)33-18-19-5-2-1-3-6-19/h4,7-16,19H,1-3,5-6,17-18,28H2,(H,29,30,31)
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n/an/a 48n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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)
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n/an/a 52n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442828
PNG
(CHEMBL2440740)
Show SMILES NCc1ccc(cc1-c1cccc(c1)C(O)=O)C(=O)Nc1ccncc1F
Show InChI InChI=1S/C20H16FN3O3/c21-17-11-23-7-6-18(17)24-19(25)13-4-5-15(10-22)16(9-13)12-2-1-3-14(8-12)20(26)27/h1-9,11H,10,22H2,(H,26,27)(H,23,24,25)
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n/an/a 55n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50023418
PNG
(CHEMBL3327327)
Show SMILES [O-][n+]1cc(Cl)c(NC(=O)c2ccc(OC(F)F)c(OCCCNC3CCOC3=O)c2)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2F2N3O6/c21-12-9-27(30)10-13(22)17(12)26-18(28)11-2-3-15(33-20(23)24)16(8-11)31-6-1-5-25-14-4-7-32-19(14)29/h2-3,8-10,14,20,25H,1,4-7H2,(H,26,28)
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n/an/a 88n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM50442806
PNG
(CHEMBL2440741)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
Show InChI InChI=1S/C21H19N3O3/c1-27-21(26)15-4-2-14(3-5-15)19-12-16(6-7-17(19)13-22)20(25)24-18-8-10-23-11-9-18/h2-12H,13,22H2,1H3,(H,23,24,25)
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n/an/a 102n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using long S6 kinase peptide as substrate by radiometric assay


Bioorg Med Chem Lett 23: 6442-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.040
BindingDB Entry DOI: 10.7270/Q2BC411W
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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)
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n/an/a 130n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50023415
PNG
(CHEMBL3327324)
Show SMILES OCCC(NCCCCOc1cc(ccc1OC(F)F)C(=O)Nc1c(Cl)cncc1Cl)C(O)=O
Show InChI InChI=1S/C21H23Cl2F2N3O6/c22-13-10-26-11-14(23)18(13)28-19(30)12-3-4-16(34-21(24)25)17(9-12)33-8-2-1-6-27-15(5-7-29)20(31)32/h3-4,9-11,15,21,27,29H,1-2,5-8H2,(H,31,32)(H,26,28,30)
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n/an/a 150n/an/an/an/an/an/a



Amakem N.V.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 activity assessed as residual cAMP concentration by HTRF assay


Bioorg Med Chem Lett 24: 4594-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.016
BindingDB Entry DOI: 10.7270/Q21C1ZFH
More data for this
Ligand-Target Pair
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