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Compile Data Set for Download or QSAR

Found 282 hits with Last Name = 'pollack' and Initial = 's'   
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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377038
PNG
(CHEMBL258205)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33Cl2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377039
PNG
(CHEMBL257191)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33F2N3O2/c30-23-15-20(16-24(31)17-23)5-6-29(36)34-13-9-22(10-14-34)28(19-35)33-11-7-21(8-12-33)26-18-32-27-4-2-1-3-25(26)27/h1-6,15-18,21-22,28,32,35H,7-14,19H2/b6-5+
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n/an/a 0.600n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377034
PNG
(CHEMBL256301)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |w:18.19|
Show InChI InChI=1S/C30H36Cl2N4O4S/c1-41(39,40)34-23-4-6-28-24(17-23)25(18-33-28)21-8-12-35(13-9-21)29(19-37)22-10-14-36(15-11-22)30(38)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33-34,37H,8-15,19H2,1H3/b7-3+
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n/an/a 0.600n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377025
PNG
(CHEMBL403889)
Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:14.15|
Show InChI InChI=1S/C29H33F3N4O2/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)36-11-7-20(8-12-36)27(17-37)35-9-5-19(6-10-35)23-16-34-26-3-2-21(33)15-22(23)26/h1-4,13-16,19-20,27,34,37H,5-12,17,33H2/b4-1+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377027
PNG
(CHEMBL404904)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(O)cc12 |w:2.1|
Show InChI InChI=1S/C29H32F3N3O3/c30-24-13-18(14-25(31)29(24)32)1-4-28(38)35-11-7-20(8-12-35)27(17-36)34-9-5-19(6-10-34)23-16-33-26-3-2-21(37)15-22(23)26/h1-4,13-16,19-20,27,33,36-37H,5-12,17H2/b4-1+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377026
PNG
(CHEMBL254772)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:18.19|
Show InChI InChI=1S/C30H35F3N4O4S/c1-42(40,41)35-22-3-4-27-23(16-22)24(17-34-27)20-6-10-36(11-7-20)28(18-38)21-8-12-37(13-9-21)29(39)5-2-19-14-25(31)30(33)26(32)15-19/h2-5,14-17,20-21,28,34-35,38H,6-13,18H2,1H3/b5-2+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 expressed in THP1 cells assessed as MCP1-induced calcium flux


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377040
PNG
(CHEMBL402442)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(Br)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33BrFN3O2/c30-25-17-20(5-7-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377028
PNG
(CHEMBL255302)
Show SMILES CC(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:17.18|
Show InChI InChI=1S/C31H35F3N4O3/c1-19(40)36-23-3-4-28-24(16-23)25(17-35-28)21-6-10-37(11-7-21)29(18-39)22-8-12-38(13-9-22)30(41)5-2-20-14-26(32)31(34)27(33)15-20/h2-5,14-17,21-22,29,35,39H,6-13,18H2,1H3,(H,36,40)/b5-2+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50239941
PNG
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)
Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224501
PNG
((E)-2-(4-(7-methoxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:17.41|
Show InChI InChI=1S/C30H32F3N3O4/c1-40-25-4-2-3-21-22(17-34-28(21)25)19-7-13-36(14-8-19)29(30(38)39)20-9-11-35(12-10-20)26(37)6-5-18-15-23(31)27(33)24(32)16-18/h2-6,15-17,19-20,29,34H,7-14H2,1H3,(H,38,39)/b6-5+
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n/an/a 2.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM356235
PNG
(BDBM50441572 | US9814704, Example 36)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50239941
PNG
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)
Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/s1
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 receptor expressed in THP1 cells assessed as MCP-1-induced calcium flux by chemotoxis assay


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224500
PNG
((E)-2-(4-(5-amino-1H-indol-3-yl)piperidin-1-yl)-2-...)
Show SMILES Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:14.36|
Show InChI InChI=1S/C29H31F3N4O3/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)35-9-7-19(8-10-35)28(29(38)39)36-11-5-18(6-12-36)22-16-34-25-3-2-20(33)15-21(22)25/h1-4,13-16,18-19,28,34H,5-12,33H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224496
PNG
((S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-...)
Show SMILES OC(=O)[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50246354
PNG
((S)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pipe...)
Show SMILES OC[C@H](C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |r,w:11.11|
Show InChI InChI=1S/C28H32F2N4O2/c29-22-14-19(15-23(30)16-22)3-4-27(36)34-12-7-21(8-13-34)26(18-35)33-10-5-20(6-11-33)25-17-32-28-24(25)2-1-9-31-28/h1-4,9,14-17,20-21,26,35H,5-8,10-13,18H2,(H,31,32)/t26-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2


Bioorg Med Chem Lett 18: 6468-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224523
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H31Cl2N3O3/c30-24-7-5-19(17-25(24)31)6-8-27(35)33-13-11-21(12-14-33)28(29(36)37)34-15-9-20(10-16-34)23-18-32-26-4-2-1-3-22(23)26/h1-8,17-18,20-21,28,32H,9-16H2,(H,36,37)/b8-6+
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50239941
PNG
((S)-1-(4-(1-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hy...)
Show SMILES OC[C@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224502
PNG
((E)-2-(4-(2-methyl-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES Cc1[nH]c2ccccc2c1C1CCN(CC1)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O |w:16.40|
Show InChI InChI=1S/C30H32F3N3O3/c1-18-27(22-4-2-3-5-25(22)34-18)20-8-14-36(15-9-20)29(30(38)39)21-10-12-35(13-11-21)26(37)7-6-19-16-23(31)28(33)24(32)17-19/h2-7,16-17,20-21,29,34H,8-15H2,1H3,(H,38,39)/b7-6+
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n/an/a 4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224511
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24|
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+
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n/an/a 5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224511
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24|
Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50246351
PNG
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)
Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)cc(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11|
Show InChI InChI=1S/C28H32F2N4O2/c29-22-14-19(15-23(30)16-22)3-4-27(36)34-12-7-21(8-13-34)26(18-35)33-10-5-20(6-11-33)25-17-32-28-24(25)2-1-9-31-28/h1-4,9,14-17,20-21,26,35H,5-8,10-13,18H2,(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2


Bioorg Med Chem Lett 18: 6468-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50246352
PNG
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)
Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11|
Show InChI InChI=1S/C28H32Cl2N4O2/c29-24-5-3-19(16-25(24)30)4-6-27(36)34-14-9-21(10-15-34)26(18-35)33-12-7-20(8-13-33)23-17-32-28-22(23)2-1-11-31-28/h1-6,11,16-17,20-21,26,35H,7-10,12-15,18H2,(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2


Bioorg Med Chem Lett 18: 6468-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377041
PNG
(CHEMBL257173)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H33F2N3O2/c30-25-7-5-20(17-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377029
PNG
(CHEMBL255499)
Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)c2c1 |w:15.16|
Show InChI InChI=1S/C30H34F3N3O3/c1-39-22-3-4-27-23(16-22)24(17-34-27)20-6-10-35(11-7-20)28(18-37)21-8-12-36(13-9-21)29(38)5-2-19-14-25(31)30(33)26(32)15-19/h2-5,14-17,20-21,28,34,37H,6-13,18H2,1H3/b5-2+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM24942
PNG
(CEP-1347 | CHEMBL290352 | methyl (15S,16R,18R)-10,...)
Show SMILES CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224524
PNG
((E)-2-(4-(5-(methylsulfonamido)-1H-indol-3-yl)pipe...)
Show SMILES CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:18.40|
Show InChI InChI=1S/C30H33F3N4O5S/c1-43(41,42)35-21-3-4-26-22(16-21)23(17-34-26)19-6-12-37(13-7-19)29(30(39)40)20-8-10-36(11-9-20)27(38)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34-35H,6-13H2,1H3,(H,39,40)/b5-2+
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n/an/a 6.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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n/an/a 6.80n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human ABL1 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441571
PNG
(CHEMBL2436982 | US9814704, Example 18)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3ccc(N)nc3)c2c1
Show InChI InChI=1S/C21H20N4O3/c1-26-17-7-13(8-18(27-2)20(17)28-3)14-6-15-16(11-25-21(15)24-10-14)12-4-5-19(22)23-9-12/h4-11H,1-3H3,(H2,22,23)(H,24,25)
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n/an/a 7n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50246304
PNG
((+/-)-1-(4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pi...)
Show SMILES OCC(C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ncccc12 |w:11.11|
Show InChI InChI=1S/C28H31F3N4O2/c29-23-14-18(15-24(30)27(23)31)3-4-26(37)35-12-7-20(8-13-35)25(17-36)34-10-5-19(6-11-34)22-16-33-28-21(22)2-1-9-32-28/h1-4,9,14-16,19-20,25,36H,5-8,10-13,17H2,(H,32,33)
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n/an/a 7n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2


Bioorg Med Chem Lett 18: 6468-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377035
PNG
(CHEMBL257628)
Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(CO)C3CCN(CC3)C(=O)\C=C\c3ccc(Cl)c(Cl)c3)c2c1 |w:15.16|
Show InChI InChI=1S/C30H35Cl2N3O3/c1-38-23-4-6-28-24(17-23)25(18-33-28)21-8-12-34(13-9-21)29(19-36)22-10-14-35(15-11-22)30(37)7-3-20-2-5-26(31)27(32)16-20/h2-7,16-18,21-22,29,33,36H,8-15,19H2,1H3/b7-3+
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224519
PNG
((E)-2-(4-(6-chloro-1H-indol-3-yl)piperidin-1-yl)-2...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2cc(Cl)ccc12 |w:3.2|
Show InChI InChI=1S/C29H29ClF3N3O3/c30-20-2-3-21-22(16-34-25(21)15-20)18-5-11-36(12-6-18)28(29(38)39)19-7-9-35(10-8-19)26(37)4-1-17-13-23(31)27(33)24(32)14-17/h1-4,13-16,18-19,28,34H,5-12H2,(H,38,39)/b4-1+
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n/an/a 7.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441570
PNG
(CHEMBL2436976 | US9814704, Example 17)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2[nH]cc(-c3cnc(N)nc3)c2c1
Show InChI InChI=1S/C20H19N5O3/c1-26-16-5-11(6-17(27-2)18(16)28-3)12-4-14-15(10-23-19(14)22-7-12)13-8-24-20(21)25-9-13/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)
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Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377023
PNG
(CHEMBL438353)
Show SMILES OCC(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C27H32Cl2N4O2/c28-23-6-5-20(15-24(23)29)31-27(35)33-13-9-19(10-14-33)26(17-34)32-11-7-18(8-12-32)22-16-30-25-4-2-1-3-21(22)25/h1-6,15-16,18-19,26,30,34H,7-14,17H2,(H,31,35)
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377042
PNG
(CHEMBL257385)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cccc(Br)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C29H34BrN3O2/c30-24-5-3-4-21(18-24)8-9-29(35)33-16-12-23(13-17-33)28(20-34)32-14-10-22(11-15-32)26-19-31-27-7-2-1-6-25(26)27/h1-9,18-19,22-23,28,31,34H,10-17,20H2/b9-8+
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50441566
PNG
(CHEMBL2436977)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C26H26N6/c1-31-8-10-32(11-9-31)17-18-2-4-19(5-3-18)21-13-23-24(16-30-26(23)29-14-21)22-12-20-6-7-27-25(20)28-15-22/h2-7,12-16H,8-11,17H2,1H3,(H,27,28)(H,29,30)
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n/an/a 9.5n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224512
PNG
(2-(1-((4-(trifluoromethoxy)phenyl)carbamoyl)piperi...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C28H31F3N4O4/c29-28(30,31)39-21-7-5-20(6-8-21)33-27(38)35-15-11-19(12-16-35)25(26(36)37)34-13-9-18(10-14-34)23-17-32-24-4-2-1-3-22(23)24/h1-8,17-19,25,32H,9-16H2,(H,33,38)(H,36,37)
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n/an/a 10n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50161830
PNG
(CHEMBL3793439)
Show SMILES ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r|
Show InChI InChI=1/C19H15FN2O3/c20-19(18(23)22-24)16(13-4-2-1-3-5-13)17(19)14-8-6-12(7-9-14)15-10-21-11-25-15/h1-11,16-17,24H,(H,22,23)/t16-,17-,19+/s2
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n/an/a 10n/an/an/an/an/an/a



BioFocus

Curated by ChEMBL


Assay Description
Inhibition of HDAC4 catalytic domain (unknown origin) using Boc-Lys(TFA)-AMC as substrate


ACS Med Chem Lett 7: 34-9 (2016)


BindingDB Entry DOI: 10.7270/Q22Z17DJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377020
PNG
(CHEMBL257768)
Show SMILES OC[C@@H](C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H32F3N3O2/c30-24-15-19(16-25(31)29(24)32)5-6-28(37)35-13-9-21(10-14-35)27(18-36)34-11-7-20(8-12-34)23-17-33-26-4-2-1-3-22(23)26/h1-6,15-17,20-21,27,33,36H,7-14,18H2/b6-5+/t27-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377022
PNG
(CHEMBL403581)
Show SMILES OCC(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccc(cc12)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H32Cl2N4O4/c29-23-3-2-20(14-24(23)30)32-28(38)34-11-7-18(8-12-34)26(16-35)33-9-5-17(6-10-33)22-15-31-25-4-1-19(27(36)37)13-21(22)25/h1-4,13-15,17-18,26,31,35H,5-12,16H2,(H,32,38)(H,36,37)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377030
PNG
(CHEMBL255500)
Show SMILES COc1cccc2c(c[nH]c12)C1CCN(CC1)C(CO)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |w:17.20|
Show InChI InChI=1S/C30H34F3N3O3/c1-39-27-4-2-3-22-23(17-34-30(22)27)20-7-11-35(12-8-20)26(18-37)21-9-13-36(14-10-21)28(38)6-5-19-15-24(31)29(33)25(32)16-19/h2-6,15-17,20-21,26,34,37H,7-14,18H2,1H3/b6-5+
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50377043
PNG
(CHEMBL403250)
Show SMILES OCC(C1CCN(CC1)C(=O)\C=C\c1cccc(c1)C(F)(F)F)N1CCC(CC1)c1c[nH]c2ccccc12 |w:2.1|
Show InChI InChI=1S/C30H34F3N3O2/c31-30(32,33)24-5-3-4-21(18-24)8-9-29(38)36-16-12-23(13-17-36)28(20-37)35-14-10-22(11-15-35)26-19-34-27-7-2-1-6-25(26)27/h1-9,18-19,22-23,28,34,37H,10-17,20H2/b9-8+
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human CCR2 receptor


Bioorg Med Chem Lett 18: 3562-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.010
BindingDB Entry DOI: 10.7270/Q2Q52QGK
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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n/an/a 11n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50246353
PNG
((+/-)-4-(1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piper...)
Show SMILES OCC(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H31Cl2N5O2/c27-22-4-3-19(14-23(22)28)31-26(35)33-12-7-18(8-13-33)24(16-34)32-10-5-17(6-11-32)21-15-30-25-20(21)2-1-9-29-25/h1-4,9,14-15,17-18,24,34H,5-8,10-13,16H2,(H,29,30)(H,31,35)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR2


Bioorg Med Chem Lett 18: 6468-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.061
BindingDB Entry DOI: 10.7270/Q2V40V1J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM50441567
PNG
(CHEMBL2436978)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30)
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n/an/a 14n/an/an/an/an/an/a



Califia Bio Inc.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP


J Med Chem 56: 8032-48 (2013)


Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224510
PNG
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(4...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C30H32F3N3O3/c31-30(32,33)23-8-5-20(6-9-23)7-10-27(37)35-15-13-22(14-16-35)28(29(38)39)36-17-11-21(12-18-36)25-19-34-26-4-2-1-3-24(25)26/h1-10,19,21-22,28,34H,11-18H2,(H,38,39)/b10-7+
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50224508
PNG
((E)-2-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccc(O)cc12 |w:3.2|
Show InChI InChI=1S/C29H30F3N3O4/c30-23-13-17(14-24(31)27(23)32)1-4-26(37)34-9-7-19(8-10-34)28(29(38)39)35-11-5-18(6-12-35)22-16-33-25-3-2-20(36)15-21(22)25/h1-4,13-16,18-19,28,33,36H,5-12H2,(H,38,39)/b4-1+
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CCR2


J Med Chem 50: 5561-3 (2007)


Article DOI: 10.1021/jm070902b
BindingDB Entry DOI: 10.7270/Q24M948Q
More data for this
Ligand-Target Pair
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