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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'clement-lacroix' and Initial = 'p'   
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
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548385
PNG
(Glpg-1205 | Glpg1205)
Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-9-(2-phenylethyl)-2-(2-pyrazin-2-yloxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one from recombinant FLAG-tagged GPR84 (un...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548398
PNG
(CHEMBL3718309)
Show SMILES OC(C#Cc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1)c1ccccc1
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031743
PNG
(CHEMBL3360349)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccn(n3)-c3ccccc3)n2n1)C1CC1
Show InChI InChI=1S/C28H25N7O2/c36-26(29-17-15-22-16-18-34(32-22)23-5-2-1-3-6-23)20-11-9-19(10-12-20)24-7-4-8-25-30-28(33-35(24)25)31-27(37)21-13-14-21/h1-12,16,18,21H,13-15,17H2,(H,29,36)(H,31,33,37)
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n/an/a 0.600n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031745
PNG
(CHEMBL3360351 | US10206907, Compound 225)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C25H22N6O/c26-15-14-18-4-1-2-5-21(18)27-16-17-8-10-19(11-9-17)22-6-3-7-23-28-25(30-31(22)23)29-24(32)20-12-13-20/h1-11,20,27H,12-14,16H2,(H,29,30,32)
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n/an/a 1.40n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031760
PNG
(CHEMBL3360330)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(NC(C)=O)cc3)nn12
Show InChI InChI=1S/C21H19N5O2/c1-14(27)22-16-8-10-17(11-9-16)23-21-24-20-5-3-4-19(26(20)25-21)15-6-12-18(28-2)13-7-15/h3-13H,1-2H3,(H,22,27)(H,23,25)
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n/an/a 2.80n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548387
PNG
(CHEMBL4794652)
Show SMILES O=c1nc(OCCOc2cnccn2)cc2-c3ccc(CCc4ccccc4)cc3CCn12
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548393
PNG
(CHEMBL3716446)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548393
PNG
(CHEMBL3716446)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548412
PNG
(CHEMBL4776061)
Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031744
PNG
(CHEMBL3360350)
Show SMILES OCc1cc(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)ccc1O
Show InChI InChI=1S/C24H22N4O3/c29-14-19-13-16(6-11-21(19)30)12-15-4-7-17(8-5-15)20-2-1-3-22-25-24(27-28(20)22)26-23(31)18-9-10-18/h1-8,11,13,18,29-30H,9-10,12,14H2,(H,26,27,31)
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n/an/a 8.30n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50548406
PNG
(CHEMBL4757870)
Show SMILES COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1
PDB
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TBA

Assay Description
Inhibition of recombinant human PDE4A overexpressed in HEK293 cells assessed as reduction in cAMP hydrolysis by HTRF based immunoassay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 10n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548412
PNG
(CHEMBL4776061)
Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccn4)nc3=O)-c2cc1OC
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduction i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031738
PNG
(CHEMBL3360355)
Show SMILES FC(F)(F)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H16F3N5O2/c20-19(21,22)17(29)23-10-11-4-6-12(7-5-11)14-2-1-3-15-24-18(26-27(14)15)25-16(28)13-8-9-13/h1-7,13H,8-10H2,(H,23,29)(H,25,26,28)
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n/an/a 16n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548420
PNG
(CHEMBL4750532)
Show SMILES CCCCCCOc1cc2-c3cc(OC)c(OC)cc3CCn2c(=O)n1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548401
PNG
(CHEMBL4755764)
Show SMILES COc1ccc-2c(CCn3c-2cc(OCC2COc4ncccc4O2)nc3=O)c1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548391
PNG
(CHEMBL3717201)
Show SMILES CN(CC#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1)Cc1ccccc1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031742
PNG
(CHEMBL3360348 | US10206907, Compound 59)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C19H19N5O3S/c25-18(13-4-5-13)21-19-20-17-3-1-2-16(24(17)22-19)12-6-8-14(9-7-12)23-28(26,27)15-10-11-15/h1-3,6-9,13,15,23H,4-5,10-11H2,(H,21,22,25)
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n/an/a 23n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548392
PNG
(CHEMBL3717853)
Show SMILES CC(C)CC(O)C#Cc1ccc-2c(CCn3c-2cc(OCC2COCCO2)nc3=O)c1
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n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548394
PNG
(CHEMBL3717416)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(COC4CCCC4)cc3CCn12
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n/an/a 26n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103737
PNG
(US10206907, Compound 234 | US11000528, Cpd # 11 | ...)
Show SMILES FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
Show InChI InChI=1S/C22H23F2N5O/c23-22(24)10-12-28(13-11-22)14-15-4-6-16(7-5-15)18-2-1-3-19-25-21(27-29(18)19)26-20(30)17-8-9-17/h1-7,17H,8-14H2,(H,26,27,30)
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n/an/a 27n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031804
PNG
(CHEMBL3360341)
Show SMILES CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-10-8-12(9-11-14)15-4-3-5-16-19-18(21-22(15)16)20-17(23)13-6-7-13/h3-5,8-11,13H,2,6-7H2,1H3,(H,20,21,23)
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n/an/a 27n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Jak1 protein


(Rattus norvegicus)
BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 29n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of rat JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Mus musculus)
BDBM50548393
PNG
(CHEMBL3716446)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at recombinant mouse GPR84 receptor expressed in HEK293 cells co-expressing GNAO1 transcription variant 1 assessed as reduct...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031740
PNG
(CHEMBL3360357 | US10206907, Compound 304)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(16-8-9-16)24-21-23-19-3-1-2-18(26(19)25-21)15-6-4-14(5-7-15)12-22-17-10-11-30(28,29)13-17/h1-7,16-17,22H,8-13H2,(H,24,25,27)
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n/an/a 41n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548403
PNG
(CHEMBL3714917)
Show SMILES COc1ccc-2c(CCn3c-2cc(OCC2COc4ccccc4O2)nc3=O)c1
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548385
PNG
(Glpg-1205 | Glpg1205)
Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
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Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548390
PNG
(CHEMBL3719092)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548416
PNG
(CHEMBL4756307)
Show SMILES COc1cc2CCn3c(cc(OCCOc4ccccc4)nc3=O)-c2cc1OC
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031806
PNG
(CHEMBL3360343)
Show SMILES CCOc1ccc(cc1)-c1cccn2nc(NC(=O)C3CC3)nc12
Show InChI InChI=1S/C18H18N4O2/c1-2-24-14-9-7-12(8-10-14)15-4-3-11-22-16(15)19-18(21-22)20-17(23)13-5-6-13/h3-4,7-11,13H,2,5-6H2,1H3,(H,20,21,23)
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n/an/a 67n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 70n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548395
PNG
(CHEMBL3718005)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(NCc4ccco4)cc3CCn12
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n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM103728
PNG
(US10206907, Compound 18 | US11000528, Cpd # 2 | US...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O2/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-28-13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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n/an/a 92n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548386
PNG
(CHEMBL3717363)
Show SMILES O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
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n/an/a 102n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031802
PNG
(CHEMBL3360339 | US10206907, Compound 14)
Show SMILES O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1
Show InChI InChI=1S/C23H20N4O2/c28-22(17-12-13-17)25-23-24-21-11-5-10-20(27(21)26-23)18-8-4-9-19(14-18)29-15-16-6-2-1-3-7-16/h1-11,14,17H,12-13,15H2,(H,25,26,28)
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n/an/a 103n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548396
PNG
(CHEMBL4744625)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C1CC1
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n/an/a 107n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50031747
PNG
(CHEMBL3360318)
Show SMILES COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-9-7-11(8-10-13)14-3-2-4-15-18-17(20-21(14)15)19-16(22)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,19,20,22)
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n/an/a 138n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK2


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50438696
PNG
(CHEMBL2414557)
Show SMILES Clc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22)
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n/an/a 142n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031746
PNG
(CHEMBL3360352)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(COc4ccc(cc4)C#N)C3)n2n1)C1CC1
Show InChI InChI=1S/C27H24N6O2/c28-14-18-4-12-23(13-5-18)35-17-19-15-32(16-19)22-10-8-20(9-11-22)24-2-1-3-25-29-27(31-33(24)25)30-26(34)21-6-7-21/h1-5,8-13,19,21H,6-7,15-17H2,(H,30,31,34)
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n/an/a 147n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50438695
PNG
(CHEMBL2414558)
Show SMILES Clc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22)
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n/an/a 156n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548406
PNG
(CHEMBL4757870)
Show SMILES COc1ccc-2c(CCn3c-2cc(OCCOc2ccccc2)nc3=O)c1
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548421
PNG
(CHEMBL4795786)
Show SMILES COc1cc2CCn3c(cc(OCc4ccccc4)nc3=O)-c2cc1OC
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50031762
PNG
(CHEMBL3360332)
Show SMILES O=C(Nc1nc2cccc(-c3ccccc3)n2n1)C1CC1
Show InChI InChI=1S/C16H14N4O/c21-15(12-9-10-12)18-16-17-14-8-4-7-13(20(14)19-16)11-5-2-1-3-6-11/h1-8,12H,9-10H2,(H,18,19,21)
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n/an/a 184n/an/an/an/an/an/a



Galapagos NV

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK1


J Med Chem 57: 9323-42 (2014)


Article DOI: 10.1021/jm501262q
BindingDB Entry DOI: 10.7270/Q2GH9KK6
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548399
PNG
(CHEMBL3718710)
Show SMILES O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)-c1ccccc1C#N
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TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548417
PNG
(CHEMBL4799579)
Show SMILES COc1cc2CCn3c(cc(OCc4ccccc4F)nc3=O)-c2cc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 252n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human GPR84 stably overexpressed in HEK293T cell membranes co-expressing G-alpha assessed as inhibition of DIM-sti...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00272
BindingDB Entry DOI: 10.7270/Q2V40ZT3
More data for this
Ligand-Target Pair
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