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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'van wauwe' and Initial = 'j'   
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
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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3.5n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50421840
PNG
(MDL-18962 | PLOMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1
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4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
In vitro inhibition of Cytochrome P450 19A1


J Med Chem 32: 2231-9 (1989)


Article DOI: 10.1021/jm00130a001
BindingDB Entry DOI: 10.7270/Q2Q52Q60
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376815
PNG
(CHEMBL259563)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12
Show InChI InChI=1/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
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7.30n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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8.90n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376803
PNG
(CHEMBL262330)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2cccc(c2C1)C(F)(F)F
Show InChI InChI=1/C30H33F3N2O/c1-4-19-9-6-10-20(5-2)28(19)25-17-27(36-3)29-24(34-25)13-8-14-26(29)35-16-15-21-11-7-12-23(22(21)18-35)30(31,32)33/h6-7,9-12,17,26H,4-5,8,13-16,18H2,1-3H3
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9.70n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50017826
PNG
(7-Hydroxy-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b...)
Show SMILES CC12CCC(=O)C(=O)C1CCC1C2CCC2(C)C1CCCC2=O
Show InChI InChI=1/C20H28O3/c1-19-11-9-16(21)18(23)15(19)7-6-12-13-4-3-5-17(22)20(13,2)10-8-14(12)19/h12-15H,3-11H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
In vitro inhibition of Cytochrome P450 19A1


J Med Chem 32: 2231-9 (1989)


Article DOI: 10.1021/jm00130a001
BindingDB Entry DOI: 10.7270/Q2Q52Q60
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1/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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11n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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26n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376802
PNG
(CHEMBL258658)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N1CCc2ccccc2C1
Show InChI InChI=1/C29H34N2O/c1-4-20-12-8-13-21(5-2)28(20)25-18-27(32-3)29-24(30-25)14-9-15-26(29)31-17-16-22-10-6-7-11-23(22)19-31/h6-8,10-13,18,26H,4-5,9,14-17,19H2,1-3H3
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35n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50451480
PNG
(CHEMBL2093042)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/s2
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63n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376817
PNG
(CHEMBL259643)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C30H32N2O/c1-4-21-12-6-8-15-23(21)26-20-29(33-3)30-25(31-26)17-11-19-28(30)32(5-2)27-18-10-14-22-13-7-9-16-24(22)27/h6-10,12-16,18,20,28H,4-5,11,17,19H2,1-3H3
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86n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376831
PNG
(CHEMBL410032)
Show SMILES CCN(C1CCCc2nc(cc(Cl)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C31H33ClN2/c1-4-21-13-9-14-22(5-2)30(21)27-20-25(32)31-26(33-27)17-11-19-29(31)34(6-3)28-18-10-15-23-12-7-8-16-24(23)28/h7-10,12-16,18,20,29H,4-6,11,17,19H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376795
PNG
(CHEMBL260176)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50110030
PNG
(1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)
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180n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50366802
PNG
(CHEMBL1788264)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/s2
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220n/an/an/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Displacement of [3H]rolipram from rat forebrain membrane


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376824
PNG
(CHEMBL408458)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1/C32H30N2O/c1-3-34(29-19-9-14-23-12-5-7-16-25(23)29)30-20-10-18-27-32(30)31(35-2)21-28(33-27)26-17-8-13-22-11-4-6-15-24(22)26/h4-9,11-17,19,21,30H,3,10,18,20H2,1-2H3
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370n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
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680n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376818
PNG
(CHEMBL259984)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(OC)cccc1OC)c1cccc2ccccc12
Show InChI InChI=1/C30H32N2O3/c1-5-32(24-15-8-12-20-11-6-7-13-21(20)24)25-16-9-14-22-29(25)28(35-4)19-23(31-22)30-26(33-2)17-10-18-27(30)34-3/h6-8,10-13,15,17-19,25H,5,9,14,16H2,1-4H3
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1.20E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376816
PNG
(CHEMBL260175)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1F)c1cccc2ccccc12
Show InChI InChI=1/C28H27FN2O/c1-3-31(25-16-8-11-19-10-4-5-12-20(19)25)26-17-9-15-23-28(26)27(32-2)18-24(30-23)21-13-6-7-14-22(21)29/h4-8,10-14,16,18,26H,3,9,15,17H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376797
PNG
(CHEMBL259639)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1/C28H28N2O/c1-3-30(25-17-9-14-20-11-7-8-15-22(20)25)26-18-10-16-23-28(26)27(31-2)19-24(29-23)21-12-5-4-6-13-21/h4-9,11-15,17,19,26H,3,10,16,18H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50367848
PNG
(SQ-9538 | TESTOLACTONE | Teslac)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC(=O)O2
Show InChI InChI=1/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/s2
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3.50E+4n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
In vitro inhibition of Cytochrome P450 19A1


J Med Chem 32: 2231-9 (1989)


Article DOI: 10.1021/jm00130a001
BindingDB Entry DOI: 10.7270/Q2Q52Q60
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14775
PNG
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50219313
PNG
(CHEMBL157812)
Show SMILES CC(Cn1ccnc1O)c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1/C18H22F2N2O3/c1-12(11-22-9-8-21-18(22)23)13-6-7-15(25-17(19)20)16(10-13)24-14-4-2-3-5-14/h6-10,12,14,17H,2-5,11H2,1H3,(H,21,23)
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n/an/a<10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50451480
PNG
(CHEMBL2093042)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@@H](C)Cn1cc[nH]\c1=N/C#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/s2
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110030
PNG
(1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110052
PNG
(1-{2-[3-(Bicyclo[2.2.1]hept-2-yloxy)-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CC2CCC1C2)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1/C20H26N2O3/c1-13(12-22-8-7-21-20(22)23)15-5-6-17(24-2)19(11-15)25-18-10-14-3-4-16(18)9-14/h5-8,11,13-14,16,18H,3-4,9-10,12H2,1-2H3,(H,21,23)
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n/an/a 21n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110046
PNG
(1-[2-(3-Cyclopropylmethoxy-4-difluoromethoxy-pheny...)
Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCC2CC2)c1
Show InChI InChI=1/C18H20F2N4O2/c1-12(9-24-7-6-22-18(24)23-11-21)14-4-5-15(26-17(19)20)16(8-14)25-10-13-2-3-13/h4-8,12-13,17H,2-3,9-10H2,1H3,(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110038
PNG
(1-{2-Fluoro-2-[3-(indan-2-yloxy)-4-methoxy-phenyl]...)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)C(F)Cn1cc[nH]c1=O
Show InChI InChI=1/C21H21FN2O3/c1-26-19-7-6-16(18(22)13-24-9-8-23-21(24)25)12-20(19)27-17-10-14-4-2-3-5-15(14)11-17/h2-9,12,17-18H,10-11,13H2,1H3,(H,23,25)
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n/an/a 24n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110040
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1/C18H24N2O3/c1-13(12-20-10-9-19-18(20)21)14-7-8-16(22-2)17(11-14)23-15-5-3-4-6-15/h7-11,13,15H,3-6,12H2,1-2H3,(H,19,21)
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n/an/a 24n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110034
PNG
(1-{2-[4-Difluoromethoxy-3-(5-phenyl-pentyloxy)-phe...)
Show SMILES CC(Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1
Show InChI InChI=1/C25H28F2N4O2/c1-19(17-31-14-13-29-25(31)30-18-28)21-11-12-22(33-24(26)27)23(16-21)32-15-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,16,19,24H,3,6-7,10,15,17H2,1H3,(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110037
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C19H24N4O2/c1-14(12-23-10-9-21-19(23)22-13-20)15-7-8-17(24-2)18(11-15)25-16-5-3-4-6-16/h7-11,14,16H,3-6,12H2,1-2H3,(H,21,22)
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n/an/a 30n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110051
PNG
(1-{2-[4-Methoxy-3-(5-phenyl-pentyloxy)-phenyl]-pro...)
Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C25H30N4O2/c1-20(18-29-15-14-27-25(29)28-19-26)22-12-13-23(30-2)24(17-22)31-16-8-4-7-11-21-9-5-3-6-10-21/h3,5-6,9-10,12-15,17,20H,4,7-8,11,16,18H2,1-2H3,(H,27,28)
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n/an/a 36n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376833
PNG
(CHEMBL258797)
Show SMILES CCN(C1CCCc2nc(cc(OC3CCCC3)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C36H42N2O/c1-4-25-15-11-16-26(5-2)35(25)31-24-34(39-28-18-8-9-19-28)36-30(37-31)21-13-23-33(36)38(6-3)32-22-12-17-27-14-7-10-20-29(27)32/h7,10-12,14-17,20,22,24,28,33H,4-6,8-9,13,18-19,21,23H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110047
PNG
(1-[1-(3-Cyclopentyloxy-4-difluoromethoxy-phenyl)-c...)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C1(Cn2cc[nH]c2=O)CC1
Show InChI InChI=1S/C19H22F2N2O3/c20-17(21)26-15-6-5-13(11-16(15)25-14-3-1-2-4-14)19(7-8-19)12-23-10-9-22-18(23)24/h5-6,9-11,14,17H,1-4,7-8,12H2,(H,22,24)
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n/an/a 39n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50366802
PNG
(CHEMBL1788264)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)[C@H](C)Cn1ccnc1NC#N
Show InChI InChI=1/C23H24N4O2/c1-16(14-27-10-9-25-23(27)26-15-24)17-7-8-21(28-2)22(13-17)29-20-11-18-5-3-4-6-19(18)12-20/h3-10,13,16,20H,11-12,14H2,1-2H3,(H,25,26)/t16-/s2
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n/an/a 57n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110035
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C18H22N4O2/c1-13(10-22-8-7-20-18(22)21-12-19)15-5-6-16(23-2)17(9-15)24-11-14-3-4-14/h5-9,13-14H,3-4,10-11H2,1-2H3,(H,20,21)
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n/an/a 57n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376835
PNG
(CHEMBL261276)
Show SMILES CCOc1cc(nc2CCCC(N(CC)c3cccc4ccccc34)c12)-c1c(CC)cccc1CC
Show InChI InChI=1/C33H38N2O/c1-5-23-15-11-16-24(6-2)32(23)28-22-31(36-8-4)33-27(34-28)19-13-21-30(33)35(7-3)29-20-12-17-25-14-9-10-18-26(25)29/h9-12,14-18,20,22,30H,5-8,13,19,21H2,1-4H3
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n/an/a 67n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110033
PNG
(1-{2-[3-(2-Indan-2-yl-ethoxy)-4-methoxy-phenyl]-pr...)
Show SMILES COc1ccc(cc1OCCC1Cc2ccccc2C1)C(C)Cn1ccnc1NC#N
Show InChI InChI=1/C25H28N4O2/c1-18(16-29-11-10-27-25(29)28-17-26)20-7-8-23(30-2)24(15-20)31-12-9-19-13-21-5-3-4-6-22(21)14-19/h3-8,10-11,15,18-19H,9,12-14,16H2,1-2H3,(H,27,28)
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n/an/a 68n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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
Show InChI InChI=1/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-
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n/an/a 71n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376832
PNG
(CHEMBL408432)
Show SMILES CCN(C1CCCc2nc(cc(SC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2S/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 82n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110039
PNG
(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
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n/an/a 86n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376793
PNG
(CHEMBL259769)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(CC)cccc1CC)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O/c1-5-22-14-10-15-23(6-2)31(22)27-21-30(35-4)32-26(33-27)18-12-20-29(32)34(7-3)28-19-11-16-24-13-8-9-17-25(24)28/h8-11,13-17,19,21,29H,5-7,12,18,20H2,1-4H3
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n/an/a 100n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50110036
PNG
(1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-ethyl]-1,...)
Show SMILES COc1ccc(CCn2cc[nH]c2=O)cc1OC1CCCC1
Show InChI InChI=1S/C17H22N2O3/c1-21-15-7-6-13(8-10-19-11-9-18-17(19)20)12-16(15)22-14-4-2-3-5-14/h6-7,9,11-12,14H,2-5,8,10H2,1H3,(H,18,20)
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n/an/a 110n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mononuclear lymphocytes


Bioorg Med Chem Lett 12: 653-8 (2002)


Article DOI: 10.1016/s0960-894x(01)00817-4
BindingDB Entry DOI: 10.7270/Q2DV1KF6
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376827
PNG
(CHEMBL411265)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(Cl)cccc1OC)c1cccc2ccccc12
Show InChI InChI=1/C29H29ClN2O2/c1-4-32(24-15-7-11-19-10-5-6-12-20(19)24)25-16-9-14-22-29(25)27(34-3)18-23(31-22)28-21(30)13-8-17-26(28)33-2/h5-8,10-13,15,17-18,25H,4,9,14,16H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376829
PNG
(CHEMBL260476)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(C)cccc1C)c1cccc2ccccc12
Show InChI InChI=1/C30H32N2O/c1-5-32(26-17-9-14-22-13-6-7-15-23(22)26)27-18-10-16-24-30(27)28(33-4)19-25(31-24)29-20(2)11-8-12-21(29)3/h6-9,11-15,17,19,27H,5,10,16,18H2,1-4H3
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n/an/a 130n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376815
PNG
(CHEMBL259563)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2ccccc12
Show InChI InChI=1/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376828
PNG
(CHEMBL260188)
Show SMILES CCN(C1CCCc2nc(cc(OC)c12)-c1c(C)cc(OC)cc1C)c1cccc2ccccc12
Show InChI InChI=1/C31H34N2O2/c1-6-33(27-15-9-12-22-11-7-8-13-24(22)27)28-16-10-14-25-31(28)29(35-5)19-26(32-25)30-20(2)17-23(34-4)18-21(30)3/h7-9,11-13,15,17-19,28H,6,10,14,16H2,1-5H3
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376794
PNG
(CHEMBL261278)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1cccc2cc(OC)ccc12
Show InChI InChI=1/C32H36N2O2/c1-6-21-11-8-12-22(7-2)31(21)27-20-30(36-5)32-26(33-27)14-10-16-29(32)34(3)28-15-9-13-23-19-24(35-4)17-18-25(23)28/h8-9,11-13,15,17-20,29H,6-7,10,14,16H2,1-5H3
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Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50376795
PNG
(CHEMBL260176)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(CCO)c1cccc2ccccc12
Show InChI InChI=1/C32H36N2O2/c1-4-22-12-8-13-23(5-2)31(22)27-21-30(36-3)32-26(33-27)16-10-18-29(32)34(19-20-35)28-17-9-14-24-11-6-7-15-25(24)28/h6-9,11-15,17,21,29,35H,4-5,10,16,18-20H2,1-3H3
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n/an/a 190n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
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