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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'olini' and Initial = 'g'   
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122996
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m0/s1
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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
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Uracil nucleotide/cysteinyl leukotriene receptor


(Homo sapiens (Human))		BDBM50318031
PNG
(CHEMBL1097279 | cangrelor)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/p-4/t8-,10-,11-,14-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins...

J Med Chem 53: 3489-501 (2010)


Article DOI: 10.1021/jm901691y
BindingDB Entry DOI: 10.7270/Q28C9WFW
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50318031
PNG
(CHEMBL1097279 | cangrelor)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/p-4/t8-,10-,11-,14-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



University of Pavia

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor by [35S]GTPgammaS binding assay

J Med Chem 53: 3489-501 (2010)


Article DOI: 10.1021/jm901691y
BindingDB Entry DOI: 10.7270/Q28C9WFW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122995
PNG
((S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-...)
Show SMILES COC[C@H](C)Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1 |r|
Show InChI InChI=1S/C21H22N6O/c1-14(13-28-2)24-18-12-16(8-10-23-18)20-19(15-6-4-3-5-7-15)26-21-25-17(22)9-11-27(20)21/h3-12,14H,13H2,1-2H3,(H,23,24)(H2,22,25,26)/t14-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122997
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyridin-4-...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N6/c1-17(18-8-4-2-5-9-18)28-22-16-20(12-14-27-22)24-23(19-10-6-3-7-11-19)30-25-29-21(26)13-15-31(24)25/h2-17H,1H3,(H,27,28)(H2,26,29,30)/t17-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50123004
PNG
(2-Phenyl-3-[2-((R)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m1/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
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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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 11/12/13/14


(Homo sapiens (Human))		BDBM50123000
PNG
(2-Phenyl-3-{2-[(S)-(1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C27H24N6/c28-23-14-16-33-26(25(32-27(33)31-23)19-8-2-1-3-9-19)20-13-15-29-24(17-20)30-22-12-6-10-18-7-4-5-11-21(18)22/h1-5,7-9,11,13-17,22H,6,10,12H2,(H,29,30)(H2,28,31,32)/t22-/m0/s1
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
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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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))		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
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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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))		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))		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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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 11/12/13/14


(Homo sapiens (Human))		BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123003
PNG
(3-(2-(benzylamino)pyridin-4-yl)-2-(4-fluorophenyl)...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NCc2ccccc2)c1
Show InChI InChI=1S/C24H19FN6/c25-19-8-6-17(7-9-19)22-23(31-13-11-20(26)29-24(31)30-22)18-10-12-27-21(14-18)28-15-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,28)(H2,26,29,30)
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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
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM15457
PNG
(2-(4-fluorophenyl)-4-methoxy-3-(pyridin-4-yl)-1H-p...)
Show SMILES COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15FN4O/c1-25-14-10-15(21)23-19-17(14)16(11-6-8-22-9-7-11)18(24-19)12-2-4-13(20)5-3-12/h2-10H,1H3,(H3,21,23,24)
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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
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
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 14


(Mus musculus (mouse))		BDBM50123000
PNG
(2-Phenyl-3-{2-[(S)-(1,2,3,4-tetrahydro-naphthalen-...)
Show SMILES Nc1ccn2c(c(nc2n1)-c1ccccc1)-c1ccnc(N[C@H]2CCCc3ccccc23)c1
Show InChI InChI=1S/C27H24N6/c28-23-14-16-33-26(25(32-27(33)31-23)19-8-2-1-3-9-19)20-13-15-29-24(17-20)30-22-12-6-10-18-7-4-5-11-21(18)22/h1-5,7-9,11,13-17,22H,6,10,12H2,(H,29,30)(H2,28,31,32)/t22-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated proliferation in human tonsilar B cells assessed as [3H]thymidine incorporation after 1 hr by liquid scintillation countin...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50122996
PNG
(2-Phenyl-3-[2-((S)-1-phenyl-ethylamino)-pyrimidin-...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N7/c1-16(17-8-4-2-5-9-17)27-23-26-14-12-19(28-23)22-21(18-10-6-3-7-11-18)30-24-29-20(25)13-15-31(22)24/h2-16H,1H3,(H2,25,29,30)(H,26,27,28)/t16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK-induced calcium flux in human Ramos cells

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216434
PNG
(CHEMBL245686 | dimethyl-(tetrahydro-pyran-4-yl)-{4...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1
Show InChI InChI=1S/C30H31F3N2O2/c1-35(2,28-17-19-37-20-18-28)21-23-5-14-27(15-6-23)34-29(36)16-7-22-3-8-24(9-4-22)25-10-12-26(13-11-25)30(31,32)33/h3-16,28H,17-21H2,1-2H3/p+1/b16-7+
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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
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216453
PNG
(CHEMBL247537 | dimethyl-{4-[(E)-3-(4'-methyl-biphe...)
Show SMILES Cc1ccc(cc1)-c1ccc(\C=C\C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)cc1
Show InChI InChI=1S/C30H34N2O2/c1-23-4-11-26(12-5-23)27-13-6-24(7-14-27)10-17-30(33)31-28-15-8-25(9-16-28)22-32(2,3)29-18-20-34-21-19-29/h4-17,29H,18-22H2,1-3H3/p+1/b17-10+
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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
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
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
Tyrosine-protein kinase Tec


(Homo sapiens (Human))		BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
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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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))		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))		BDBM50224521
PNG
((E)-2-(4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl)-...)
Show SMILES COc1ccc2[nH]cc(C3CCN(CC3)C(C3CCN(CC3)C(=O)\C=C\c3cc(F)c(F)c(F)c3)C(O)=O)c2c1 |w:15.37|
Show InChI InChI=1S/C30H32F3N3O4/c1-40-21-3-4-26-22(16-21)23(17-34-26)19-6-12-36(13-7-19)29(30(38)39)20-8-10-35(11-9-20)27(37)5-2-18-14-24(31)28(33)25(32)15-18/h2-5,14-17,19-20,29,34H,6-13H2,1H3,(H,38,39)/b5-2+
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n/an/a 16.7n/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 BTK


(Homo sapiens (Human))		BDBM50012073
PNG
(CHEMBL3263634)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Nc2nc(nc3n(C)cnc23)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1
Show InChI InChI=1S/C36H40N8O2/c1-23-28(8-7-9-29(23)39-34(45)24-10-14-26(15-11-24)36(2,3)4)31-40-32(30-33(41-31)43(6)22-37-30)38-27-16-12-25(13-17-27)35(46)44-20-18-42(5)19-21-44/h7-17,22H,18-21H2,1-6H3,(H,39,45)(H,38,40,41)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012095
PNG
(CHEMBL3263656)
Show SMILES Cc1c(NC(=O)Nc2ccccc2)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C30H28N8O3/c1-19-23(8-5-9-24(19)35-30(40)34-21-6-3-2-4-7-21)26-36-27-25(31-18-32-27)28(37-26)33-22-12-10-20(11-13-22)29(39)38-14-16-41-17-15-38/h2-13,18H,14-17H2,1H3,(H2,34,35,40)(H2,31,32,33,36,37)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012079
PNG
(CHEMBL3263639)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)N2CCNCC2)c2ncn(C)c2n1
Show InChI InChI=1S/C34H38N8O/c1-22-27(7-6-8-28(22)38-33(43)23-9-11-24(12-10-23)34(2,3)4)30-39-31(29-32(40-30)41(5)21-36-29)37-25-13-15-26(16-14-25)42-19-17-35-18-20-42/h6-16,21,35H,17-20H2,1-5H3,(H,38,43)(H,37,39,40)
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50224506
PNG
((E)-2-(4-(6-fluoro-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(F)ccc12 |w:3.2|
Show InChI InChI=1S/C29H29F4N3O3/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 20n/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))		BDBM50224499
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)cc(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.2|
Show InChI InChI=1S/C29H31F2N3O3/c30-22-15-19(16-23(31)17-22)5-6-27(35)33-11-9-21(10-12-33)28(29(36)37)34-13-7-20(8-14-34)25-18-32-26-4-2-1-3-24(25)26/h1-6,15-18,20-21,28,32H,7-14H2,(H,36,37)/b6-5+
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n/an/a 20n/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))		BDBM50216435
PNG
(CHEMBL397647 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
Show InChI InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1
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n/an/a 20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Mus musculus (mouse))		BDBM50123002
PNG
(2-Benzyl-7-(4-fluoro-phenyl)-8-pyridin-4-yl-3,6-di...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc3[nH]c(Cc4ccccc4)nc3c2c1-c1ccncc1
Show InChI InChI=1S/C27H19FN4/c28-20-8-6-19(7-9-20)26-24(18-12-14-29-15-13-18)25-21(31-26)10-11-22-27(25)32-23(30-22)16-17-4-2-1-3-5-17/h1-15,31H,16H2,(H,30,32)
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n/an/a 22n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of murine p38 alpha kinase

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012071
PNG
(CHEMBL3263632)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCNCC2)c2ncn(C)c2n1
Show InChI InChI=1S/C35H38N8O2/c1-22-27(7-6-8-28(22)39-33(44)23-9-13-25(14-10-23)35(2,3)4)30-40-31(29-32(41-30)42(5)21-37-29)38-26-15-11-24(12-16-26)34(45)43-19-17-36-18-20-43/h6-16,21,36H,17-20H2,1-5H3,(H,39,44)(H,38,40,41)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50224516
PNG
(2-(1-((3,4-dichlorophenyl)carbamoyl)piperidin-4-yl...)
Show SMILES OC(=O)C(C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.3|
Show InChI InChI=1S/C27H30Cl2N4O3/c28-22-6-5-19(15-23(22)29)31-27(36)33-13-9-18(10-14-33)25(26(34)35)32-11-7-17(8-12-32)21-16-30-24-4-2-1-3-20(21)24/h1-6,15-18,25,30H,7-14H2,(H,31,36)(H,34,35)
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n/an/a 25n/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 BTK


(Homo sapiens (Human))		BDBM50012087
PNG
(CHEMBL3263648)
Show SMILES Cc1ccc(cc1NC(=O)c1ccc(cc1)C(C)(C)C)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-5-6-24(19-27(21)38-32(42)22-7-11-25(12-8-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-26-13-9-23(10-14-26)33(43)41-15-17-44-18-16-41/h5-14,19-20H,15-18H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012097
PNG
(CHEMBL3263658)
Show SMILES Cc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C33H35N7O4S/c1-21-26(6-5-7-27(21)39-45(42,43)25-14-10-23(11-15-25)33(2,3)4)29-37-30-28(34-20-35-30)31(38-29)36-24-12-8-22(9-13-24)32(41)40-16-18-44-19-17-40/h5-15,20,39H,16-19H2,1-4H3,(H2,34,35,36,37,38)
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50122998
PNG
(3-(2-Methylsulfanyl-pyrimidin-4-yl)-2-phenyl-imida...)
Show SMILES CSc1nccc(n1)-c1c(nc2nc(N)ccn12)-c1ccccc1
Show InChI InChI=1S/C17H14N6S/c1-24-17-19-9-7-12(20-17)15-14(11-5-3-2-4-6-11)22-16-21-13(18)8-10-23(15)16/h2-10H,1H3,(H2,18,21,22)
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n/an/a 28n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF-alpha production in human peripheral blood mononuclear cells

Bioorg Med Chem Lett 13: 347-50 (2003)


BindingDB Entry DOI: 10.7270/Q2G73D2C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012072
PNG
(CHEMBL3263633)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(CCO)CC2)c2ncn(C)c2n1
Show InChI InChI=1S/C37H42N8O3/c1-24-29(7-6-8-30(24)40-35(47)25-9-13-27(14-10-25)37(2,3)4)32-41-33(31-34(42-32)43(5)23-38-31)39-28-15-11-26(12-16-28)36(48)45-19-17-44(18-20-45)21-22-46/h6-16,23,46H,17-22H2,1-5H3,(H,40,47)(H,39,41,42)
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50216442
PNG
(CHEMBL393631 | N-(4-(3,4-dichlorobenzamido)benzyl)...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1
Show InChI InChI=1S/C22H26Cl2N2O/c1-26(2,19-6-4-3-5-7-19)15-16-8-11-18(12-9-16)25-22(27)17-10-13-20(23)21(24)14-17/h8-14,19H,3-7,15H2,1-2H3/p+1
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 receptor expressed in THP1 cells

Bioorg Med Chem Lett 17: 4382-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.115
BindingDB Entry DOI: 10.7270/Q2F47NVR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human tonsilar B cells assessed as inhibition of IL6 expression after 1 hr by EIA

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012088
PNG
(CHEMBL3263649)
Show SMILES Cc1c(NC(=O)C2CCC(CC2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1 |(57.34,-49.43,;57.34,-50.97,;56,-51.74,;54.67,-50.97,;53.33,-51.74,;53.33,-53.28,;52,-50.97,;52,-49.43,;50.67,-48.66,;49.33,-49.43,;49.34,-50.98,;50.67,-51.74,;48,-48.66,;48,-47.12,;46.67,-49.43,;46.66,-47.89,;56,-53.28,;57.34,-54.05,;58.67,-53.28,;58.67,-51.75,;60,-50.98,;60,-49.43,;61.33,-48.66,;61.33,-47.12,;59.99,-46.36,;59.99,-44.81,;58.66,-44.05,;57.32,-44.82,;57.33,-46.37,;58.67,-47.13,;55.99,-44.06,;55.98,-42.52,;54.66,-44.83,;53.31,-44.06,;51.99,-44.83,;51.98,-46.37,;53.32,-47.14,;54.66,-46.37,;62.67,-49.43,;64.14,-48.95,;65.05,-50.2,;64.14,-51.46,;62.67,-50.98,;61.33,-51.75,)|
Show InChI InChI=1S/C34H41N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-7,10-11,14-15,20,22,24H,8-9,12-13,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50012085
PNG
(CHEMBL3263646)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C33H33N7O3/c1-33(2,3)24-11-7-21(8-12-24)31(41)37-26-6-4-5-23(19-26)28-38-29-27(34-20-35-29)30(39-28)36-25-13-9-22(10-14-25)32(42)40-15-17-43-18-16-40/h4-14,19-20H,15-18H2,1-3H3,(H,37,41)(H2,34,35,36,38,39)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of full length human wild type his-tagged BTK expressed in Sf9 cells using biotinylated peptide as substrate after 1 hr by Fluorescence as...

Bioorg Med Chem Lett 24: 2206-11 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.075
BindingDB Entry DOI: 10.7270/Q2K075TC
More data for this
Ligand-Target Pair
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