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Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'de vos' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50548387
PNG
(CHEMBL4794652)
Show SMILES O=c1nc(OCCOc2cnccn2)cc2-c3ccc(CCc4ccccc4)cc3CCn12
PDB

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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))
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
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032334
PNG
(CHEMBL3353541)
Show SMILES C[C@@]1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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
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
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))
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
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032340
PNG
(CHEMBL3353514)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032437
PNG
(CHEMBL3353533)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C28H28N2O5S/c1-28(11-13-30(28)25(31)16-21-18-36-24-6-3-2-5-22(21)24)27(34)29(12-4-7-26(32)33)17-19-8-9-20-10-14-35-23(20)15-19/h2-3,5-6,8-10,14-15,18H,4,7,11-13,16-17H2,1H3,(H,32,33)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032302
PNG
(CHEMBL3353483)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(23(31)26(14-22(29)30)13-16-6-8-18(25)9-7-16)10-11-27(24)21(28)12-17-15-32-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,29,30)
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n/an/a 36n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032438
PNG
(CHEMBL3353534)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
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n/an/a 40n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032300
PNG
(CHEMBL3353485)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN2O4S/c1-26(12-14-29(26)23(30)15-19-17-34-22-6-3-2-5-21(19)22)25(33)28(13-4-7-24(31)32)16-18-8-10-20(27)11-9-18/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,31,32)
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n/an/a 42n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032305
PNG
(CHEMBL3353480)
Show SMILES CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
Show InChI InChI=1S/C26H30ClN3O4S2/c1-26(12-14-30(26)24(31)16-20-18-35-23-7-4-3-6-22(20)23)25(32)29(13-5-15-36(33,34)28-2)17-19-8-10-21(27)11-9-19/h3-4,6-11,18,28H,5,12-17H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032378
PNG
(CHEMBL3353532)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C28H29N3O4S/c1-28(11-14-31(28)25(32)16-21-18-36-24-6-3-2-5-22(21)24)27(35)30(13-4-7-26(33)34)17-19-8-9-20-10-12-29-23(20)15-19/h2-3,5-6,8-10,12,15,18,29H,4,7,11,13-14,16-17H2,1H3,(H,33,34)
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n/an/a 48n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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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n/an/a 50n/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))
BDBM50548385
PNG
(Glpg-1205 | Glpg1205)
Show SMILES O=c1nc(OC[C@@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
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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))
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032375
PNG
(CHEMBL3353530)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H27F3N2O4S/c1-26(12-14-32(26)23(33)15-19-17-37-22-6-3-2-5-21(19)22)25(36)31(13-4-7-24(34)35)16-18-8-10-20(11-9-18)27(28,29)30/h2-3,5-6,8-11,17H,4,7,12-16H2,1H3,(H,34,35)
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Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032337
PNG
(CHEMBL3353511)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClN2O4S/c1-24(12-14-27(24)22(30)19-15-32-20-6-3-2-5-18(19)20)23(31)26(13-4-7-21(28)29)17-10-8-16(25)9-11-17/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,28,29)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032341
PNG
(CHEMBL3353515)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
Show InChI InChI=1S/C27H27N3O4S/c1-27(11-14-30(27)25(33)21-17-35-23-6-3-2-5-20(21)23)26(34)29(13-4-7-24(31)32)16-18-8-9-19-10-12-28-22(19)15-18/h2-3,5-6,8-10,12,15,17,28H,4,7,11,13-14,16H2,1H3,(H,31,32)
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n/an/a 63n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032330
PNG
(CHEMBL3353479)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCS(N)(=O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClN3O4S2/c1-25(11-13-29(25)23(30)15-19-17-34-22-6-3-2-5-21(19)22)24(31)28(12-4-14-35(27,32)33)16-18-7-9-20(26)10-8-18/h2-3,5-10,17H,4,11-16H2,1H3,(H2,27,32,33)
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n/an/a 76n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032326
PNG
(CHEMBL3353475)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H34ClN3O4S/c1-30(12-14-34(30)28(36)19-23-21-39-26-6-3-2-5-25(23)26)29(37)33(20-22-8-10-24(31)11-9-22)13-4-7-27(35)32-15-17-38-18-16-32/h2-3,5-6,8-11,21H,4,7,12-20H2,1H3
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n/an/a 76n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032370
PNG
(CHEMBL3353526)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cc[nH]c3c2)c1
Show InChI InChI=1S/C28H33N3O4/c1-19-13-20(2)15-22(14-19)17-25(32)31-12-9-28(31,3)27(35)30(11-4-5-26(33)34)18-21-6-7-23-8-10-29-24(23)16-21/h6-8,10,13-16,29H,4-5,9,11-12,17-18H2,1-3H3,(H,33,34)
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n/an/a 85n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032442
PNG
(CHEMBL3353538)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cc[nH]c2c1
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n/an/a 90n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032439
PNG
(CHEMBL3353535)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2scnc2c1
Show InChI InChI=1S/C27H27N3O4S2/c1-27(10-12-30(27)24(31)14-19-16-35-22-6-3-2-5-20(19)22)26(34)29(11-4-7-25(32)33)15-18-8-9-23-21(13-18)28-17-36-23/h2-3,5-6,8-9,13,16-17H,4,7,10-12,14-15H2,1H3,(H,32,33)
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n/an/a 95n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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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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))
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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032342
PNG
(CHEMBL3353516)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C27H26N2O5S/c1-27(11-13-29(27)25(32)21-17-35-23-6-3-2-5-20(21)23)26(33)28(12-4-7-24(30)31)16-18-8-9-19-10-14-34-22(19)15-18/h2-3,5-6,8-10,14-15,17H,4,7,11-13,16H2,1H3,(H,30,31)
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n/an/a 115n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032443
PNG
(CHEMBL3353539)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2ccoc2c1
Show InChI InChI=1S/C28H28N2O6/c1-28(11-13-30(28)25(31)16-21-18-36-23-6-3-2-5-22(21)23)27(34)29(12-4-7-26(32)33)17-19-8-9-20-10-14-35-24(20)15-19/h2-3,5-6,8-10,14-15,18H,4,7,11-13,16-17H2,1H3,(H,32,33)
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n/an/a 116n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032279
PNG
(CHEMBL3353502)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O4S/c1-25(12-14-28(25)23(31)20-16-33-21-6-3-2-5-19(20)21)24(32)27(13-4-7-22(29)30)15-17-8-10-18(26)11-9-17/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3,(H,29,30)
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n/an/a 118n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032319
PNG
(CHEMBL3353468)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H28ClN3O3/c1-16-10-17(2)12-19(11-16)13-22(30)28-9-8-24(28,3)23(31)27(15-21(26)29)14-18-4-6-20(25)7-5-18/h4-7,10-12H,8-9,13-15H2,1-3H3,(H2,26,29)
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n/an/a 123n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032343
PNG
(CHEMBL3353517)
Show SMILES CC1(CCN1C(=O)c1csc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
Show InChI InChI=1S/C26H26N4O4S/c1-26(10-12-30(26)24(33)20-16-35-22-6-3-2-5-19(20)22)25(34)29(11-4-7-23(31)32)15-17-8-9-18-14-27-28-21(18)13-17/h2-3,5-6,8-9,13-14,16H,4,7,10-12,15H2,1H3,(H,27,28)(H,31,32)
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n/an/a 130n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032444
PNG
(CHEMBL3353540)
Show SMILES CC1(CCN1C(=O)Cc1coc2ccccc12)C(=O)N(CCCC(O)=O)Cc1ccc2cn[nH]c2c1
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n/an/a 138n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032285
PNG
(CHEMBL3353498)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)c1csc2ccccc12
Show InChI InChI=1S/C22H21ClN2O2S/c1-22(21(27)24(2)13-15-7-9-16(23)10-8-15)11-12-25(22)20(26)18-14-28-19-6-4-3-5-17(18)19/h3-10,14H,11-13H2,1-2H3
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n/an/a 142n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032317
PNG
(CHEMBL3353466)
Show SMILES CC1(CCN1C(=O)Cc1csc2ccccc12)C(=O)N(CCCC#N)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN3O2S/c1-26(25(32)29(14-5-4-13-28)17-19-8-10-21(27)11-9-19)12-15-30(26)24(31)16-20-18-33-23-7-3-2-6-22(20)23/h2-3,6-11,18H,4-5,12,14-17H2,1H3
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n/an/a 143n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032373
PNG
(CHEMBL3353528)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(O)=O)Cc2ccc3cn[nH]c3c2)c1
Show InChI InChI=1S/C27H32N4O4/c1-18-11-19(2)13-21(12-18)15-24(32)31-10-8-27(31,3)26(35)30(9-4-5-25(33)34)17-20-6-7-22-16-28-29-23(22)14-20/h6-7,11-14,16H,4-5,8-10,15,17H2,1-3H3,(H,28,29)(H,33,34)
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n/an/a 156n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
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
PDB

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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
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032322
PNG
(CHEMBL3353471)
Show SMILES Cc1cc(C)cc(CC(=O)N2CCC2(C)C(=O)N(CCCC(N)=O)Cc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C26H32ClN3O3/c1-18-13-19(2)15-21(14-18)16-24(32)30-12-10-26(30,3)25(33)29(11-4-5-23(28)31)17-20-6-8-22(27)9-7-20/h6-9,13-15H,4-5,10-12,16-17H2,1-3H3,(H2,28,31)
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n/an/a 158n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50032278
PNG
(CHEMBL3353503)
Show SMILES CC1(CCN1C(=O)CC1=COC2C=CC=CC12)C(=O)N(CCCC(O)=O)Cc1ccc(Cl)cc1 |c:13,15,t:9|
Show InChI InChI=1S/C26H29ClN2O5/c1-26(12-14-29(26)23(30)15-19-17-34-22-6-3-2-5-21(19)22)25(33)28(13-4-7-24(31)32)16-18-8-10-20(27)11-9-18/h2-3,5-6,8-11,17,21-22H,4,7,12-16H2,1H3,(H,31,32)
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n/an/a 166n/an/an/an/an/an/a



Galapagos

Curated by ChEMBL


Assay Description
Antagonist activity against human FFA2 receptor expressed in HEK293 cells assessed as inhibition of sodium acetate-induced calcium mobilization


J Med Chem 57: 10044-57 (2014)


Article DOI: 10.1021/jm5012885
BindingDB Entry DOI: 10.7270/Q29S1SM9
More data for this
Ligand-Target Pair
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