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Compile Data Set for Download or QSAR

Found 630 hits from Abbott Bioresearch Center   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426739
PNG
(CHEMBL2322135)
Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)
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n/an/a 3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 4n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426734
PNG
(CHEMBL2322142)
Show SMILES C1CCC(CC1)c1cnc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)12-8-16-13-9-17-14-11(18(12)13)6-7-15-14/h6-10,15H,1-5H2
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n/an/a 4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 5n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375120
PNG
(CHEMBL403040)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (human))
BDBM50264866
PNG
(4'-(2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-ylo...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(Oc2cncc3sc(cc23)-c2nnn[nH]2)cc1
Show InChI InChI=1S/C21H14N6O2S/c22-20(28)14-3-1-12(2-4-14)13-5-7-15(8-6-13)29-17-10-23-11-19-16(17)9-18(30-19)21-24-26-27-25-21/h1-11H,(H2,22,28)(H,24,25,26,27)
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n/an/a 10n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COT by HTRF-based assay


Bioorg Med Chem Lett 18: 4952-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.037
BindingDB Entry DOI: 10.7270/Q23J3CTH
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375119
PNG
(CHEMBL401868)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2
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n/an/a 10n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426739
PNG
(CHEMBL2322135)
Show SMILES C1CCC(CC1)c1n[nH]c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16N4/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)17-18-13/h6-9H,1-5H2,(H,15,16)(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 1 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8807
PNG
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-
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n/an/a 10n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426732
PNG
(CHEMBL2322134)
Show SMILES C1CCC(CC1)c1ncc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)14-17-9-11-8-16-13-12(18(11)14)6-7-15-13/h6-10,15H,1-5H2
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n/an/a 10n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 12.5n/an/an/an/an/an/a



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM8798
PNG
(CHEMBL47787 | Pyrazolo[3,4-d]pyrimidine 6 | benzyl...)
Show SMILES COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H38N8O3/c1-37-14-16-38(17-15-37)23-9-11-24(12-10-23)39-30-27(29(32)33-20-34-30)28(36-39)22-8-13-25(26(18-22)41-2)35-31(40)42-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H,35,40)(H2,32,33,34)/t23-,24-
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n/an/a 13n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Src protein tryrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50175210
PNG
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36)
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n/an/a 13n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50374467
PNG
(CHEMBL255536)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2C)C(C)(C)C)cc1OC
Show InChI InChI=1S/C24H31N5O3/c1-16-9-7-8-10-18(16)27-23(26-15-25)29-22(24(2,3)4)28-21(30)14-17-11-12-19(31-5)20(13-17)32-6/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)
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n/an/a 14n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 18: 2093-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.094
BindingDB Entry DOI: 10.7270/Q2HH6KXV
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375121
PNG
(CHEMBL257038)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375116
PNG
(CHEMBL403290)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50114585
PNG
((R)-7-[4-(4-Methyl-piperazin-1-yl)-cyclohexyl]-5-(...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23+
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n/an/a 15n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lck tyrosine kinase (lck64-509)


Bioorg Med Chem Lett 12: 1683-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00195-6
BindingDB Entry DOI: 10.7270/Q23B5ZGR
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8793
PNG
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23-
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n/an/a 15n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375124
PNG
(CHEMBL256457)
Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H26Cl2N4O2/c1-34(29(38)23-11-10-20-6-2-3-7-22(20)18-23)16-5-17-35-28-25(32)8-4-9-26(28)36(30(35)33)19-27(37)21-12-14-24(31)15-13-21/h2-4,6-15,18,33H,5,16-17,19H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375116
PNG
(CHEMBL403290)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
P2X purinoceptor 7 (P2X7)


(Rattus norvegicus (Rat))
BDBM50234965
PNG
(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Show SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC
Show InChI InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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n/an/a 18n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay


Bioorg Med Chem Lett 18: 2093-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.094
BindingDB Entry DOI: 10.7270/Q2HH6KXV
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8806
PNG
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1
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n/an/a 19n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50145570
PNG
(1H-Indole-2-carboxylic acid (4-{4-amino-1-[4-(4-me...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H37N9O2/c1-39-13-15-40(16-14-39)22-8-10-23(11-9-22)41-31-28(30(33)34-19-35-31)29(38-41)21-7-12-25(27(18-21)43-2)37-32(42)26-17-20-5-3-4-6-24(20)36-26/h3-7,12,17-19,22-23,36H,8-11,13-16H2,1-2H3,(H,37,42)(H2,33,34,35)/t22-,23-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426737
PNG
(CHEMBL2322137)
Show SMILES C1CCC(CC1)c1noc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H15N3O/c1-2-4-9(5-3-1)13-12-10-6-7-15-14(10)16-8-11(12)18-17-13/h6-9H,1-5H2,(H,15,16)
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50155144
PNG
(4-(3-Phenyl-1H-indol-2-ylmethylene)-5-pyrazin-2-yl...)
Show SMILES O=C1NN=C(\C1=C\c1[nH]c2ccccc2c1-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C22H15N5O/c28-22-16(21(26-27-22)19-13-23-10-11-24-19)12-18-20(14-6-2-1-3-7-14)15-8-4-5-9-17(15)25-18/h1-13,25H,(H,27,28)/b16-12-
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50175200
PNG
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38)
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50175207
PNG
(A-641359 | CHEMBL381203 | N-(4-(4-amino-1-(1-(tetr...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H36N8O3/c1-38-25-6-4-3-5-20(25)17-26(38)32(41)36-24-8-7-21(18-27(24)42-2)29-28-30(33)34-19-35-31(28)40(37-29)23-9-13-39(14-10-23)22-11-15-43-16-12-22/h3-8,17-19,22-23H,9-16H2,1-2H3,(H,36,41)(H2,33,34,35)
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against lck


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375116
PNG
(CHEMBL403290)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375117
PNG
(CHEMBL255798)
Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccn1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-30(24(34)20-7-2-3-13-29-20)14-5-15-31-23-19(27)6-4-8-21(23)32(25(31)28)16-22(33)17-9-11-18(26)12-10-17/h2-4,6-13,28H,5,14-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375119
PNG
(CHEMBL401868)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CCCN(C2CC2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-12-10-20(11-13-22)27(39)19-38-26-9-2-8-25(33)29(26)37(31(38)34)18-4-17-36(23-14-15-23)30(40)24-7-1-5-21-6-3-16-35-28(21)24/h1-3,5-13,16,23,34H,4,14-15,17-19H2
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375122
PNG
(CHEMBL427833)
Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12
Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL10 from human CXCR3 expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375120
PNG
(CHEMBL403040)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(CC[C@@H]2CCCN2C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-22-13-11-20(12-14-22)27(39)19-38-26-10-2-9-25(33)29(26)37(31(38)34)18-15-23-7-4-17-36(23)30(40)24-8-1-5-21-6-3-16-35-28(21)24/h1-3,5-6,8-14,16,23,34H,4,7,15,17-19H2/t23-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375121
PNG
(CHEMBL257038)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375116
PNG
(CHEMBL403290)
Show SMILES Clc1ccc(cc1)C(=O)Cn1c2cccc(Cl)c2n(C[C@H]2CCCN(C2)C(=O)c2cccc3cccnc23)c1=N
Show InChI InChI=1S/C31H27Cl2N5O2/c32-23-13-11-21(12-14-23)27(39)19-37-26-10-2-9-25(33)29(26)38(31(37)34)18-20-5-4-16-36(17-20)30(40)24-8-1-6-22-7-3-15-35-28(22)24/h1-3,6-15,20,34H,4-5,16-19H2/t20-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375122
PNG
(CHEMBL427833)
Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1cccc2cccnc12
Show InChI InChI=1S/C29H25Cl2N5O2/c1-34(28(38)22-8-2-6-20-7-4-15-33-26(20)22)16-5-17-35-27-23(31)9-3-10-24(27)36(29(35)32)18-25(37)19-11-13-21(30)14-12-19/h2-4,6-15,32H,5,16-18H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375123
PNG
(CHEMBL272558)
Show SMILES COc1ccccc1C(=O)N(C)CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N
Show InChI InChI=1S/C27H26Cl2N4O3/c1-31(26(35)20-7-3-4-10-24(20)36-2)15-6-16-32-25-21(29)8-5-9-22(25)33(27(32)30)17-23(34)18-11-13-19(28)14-12-18/h3-5,7-14,30H,6,15-17H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens)
BDBM50375111
PNG
(CHEMBL409499)
Show SMILES CN(CCCn1c2c(Cl)cccc2n(CC(=O)c2ccc(Cl)cc2)c1=N)C(=O)c1ccccc1
Show InChI InChI=1S/C26H24Cl2N4O2/c1-30(25(34)19-7-3-2-4-8-19)15-6-16-31-24-21(28)9-5-10-22(24)32(26(31)29)17-23(33)18-11-13-20(27)14-12-18/h2-5,7-14,29H,6,15-17H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human CXCR3 expressed in CHO cell membrane assessed as inhibition of calcium flux by FLIPR


Bioorg Med Chem Lett 18: 2414-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.049
BindingDB Entry DOI: 10.7270/Q2BP03NC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50393756
PNG
(CHEMBL2159198)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1C1CCCCC1
Show InChI InChI=1S/C15H18N4/c1-10-18-13-9-17-15-12(7-8-16-15)14(13)19(10)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
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n/an/a 20n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50175200
PNG
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38)
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n/an/a 23n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against lck


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8807
PNG
(CHEMBL43773 | N-(4-{4-amino-1-[4-(4-methylpiperazi...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H36N8O3/c1-38-13-15-39(16-14-38)22-8-10-23(11-9-22)40-31-28(30(33)34-19-35-31)29(37-40)21-7-12-24(26(18-21)42-2)36-32(41)27-17-20-5-3-4-6-25(20)43-27/h3-7,12,17-19,22-23H,8-11,13-16H2,1-2H3,(H,36,41)(H2,33,34,35)/t22-,23-
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n/an/a 24n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50251532
PNG
(4-(carbamimidoyl)-N-(3,4-dimethoxyphenyl)-2-phenyl...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2c2ccccc2)C(NC#N)=Nc2ccccc2C)cc1OC
Show InChI InChI=1S/C28H30N6O3/c1-20-9-7-8-12-23(20)32-27(30-19-29)33-15-16-34(24(18-33)21-10-5-4-6-11-21)28(35)31-22-13-14-25(36-2)26(17-22)37-3/h4-14,17,24H,15-16,18H2,1-3H3,(H,30,32)(H,31,35)
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n/an/a 25n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 18: 3848-51 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.055
BindingDB Entry DOI: 10.7270/Q23F4PFN
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM8806
PNG
((1R,2R)-N-(4-{4-amino-1-[4-(4-methylpiperazin-1-yl...)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C33H40N8O2/c1-39-14-16-40(17-15-39)23-9-11-24(12-10-23)41-32-29(31(34)35-20-36-32)30(38-41)22-8-13-27(28(18-22)43-2)37-33(42)26-19-25(26)21-6-4-3-5-7-21/h3-8,13,18,20,23-26H,9-12,14-17,19H2,1-2H3,(H,37,42)(H2,34,35,36)/t23-,24-,25-,26+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 28n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase activity with 1 mM ATP and biotinylated lck peptide


Bioorg Med Chem Lett 14: 2613-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.101
BindingDB Entry DOI: 10.7270/Q2M61JQP
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM8803
PNG
(CHEMBL295601 | N-(4-{4-amino-1-[4-(4-methylpiperaz...)
Show SMILES COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H40N8O2/c1-38-16-18-39(19-17-38)24-10-12-25(13-11-24)40-32-29(31(33)34-21-35-32)30(37-40)23-9-14-26(27(20-23)42-2)36-28(41)15-8-22-6-4-3-5-7-22/h3-7,9,14,20-21,24-25H,8,10-13,15-19H2,1-2H3,(H,36,41)(H2,33,34,35)/t24-,25-
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n/an/a 28n/an/an/an/a7.422



Abbott Bioresearch Center



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


Bioorg Med Chem Lett 12: 1687-90 (2002)


Article DOI: 10.1016/s0960-894x(02)00196-8
BindingDB Entry DOI: 10.7270/Q2154F84
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50114585
PNG
((R)-7-[4-(4-Methyl-piperazin-1-yl)-cyclohexyl]-5-(...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23+
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n/an/a 29n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human p56 Lyn tyrosine kinase


Bioorg Med Chem Lett 12: 1683-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00195-6
BindingDB Entry DOI: 10.7270/Q23B5ZGR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426735
PNG
(CHEMBL2322141)
Show SMILES C1CCC(CC1)c1nnc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C13H15N5/c1-2-4-9(5-3-1)13-17-16-11-8-15-12-10(18(11)13)6-7-14-12/h6-9,14H,1-5H2
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n/an/a 30n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426731
PNG
(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-...)
Show SMILES C1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16N4/c1-2-4-10(5-3-1)18-9-17-12-8-16-14-11(13(12)18)6-7-15-14/h6-10H,1-5H2,(H,15,16)
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n/an/a 30n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-dependent STAT3 phosphorylation


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM50426733
PNG
(CHEMBL2322143)
Show SMILES C1CCC(CC1)c1ccc2cnc3[nH]ccc3n12
Show InChI InChI=1S/C15H17N3/c1-2-4-11(5-3-1)13-7-6-12-10-17-15-14(18(12)13)8-9-16-15/h6-11,16H,1-5H2
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n/an/a 30n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Aurora 1 (unknown origin) after 2.5 hrs by time-resolved fluorescence resonance energy transfer assay in presence of 100 uM ATP


Bioorg Med Chem Lett 23: 693-8 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.108
BindingDB Entry DOI: 10.7270/Q2DN46CT
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50175209
PNG
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33)
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n/an/a 30n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
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