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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'de filippo' and Initial = 'e'   
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))
BDBM50189549
PNG
(CHEMBL3827756)
Show SMILES CCCCCCSc1nc(O)cc(O)n1
Show InChI InChI=1S/C10H16N2O2S/c1-2-3-4-5-6-15-10-11-8(13)7-9(14)12-10/h7H,2-6H2,1H3,(H2,11,12,13,14)
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0.219n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511034
PNG
(CHEMBL4444010)
Show SMILES Brc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H12BrN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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0.317n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50189527
PNG
(CHEMBL3827310)
Show SMILES Oc1cc(O)nc(SCCCCc2ccccc2)n1
Show InChI InChI=1S/C14H16N2O2S/c17-12-10-13(18)16-14(15-12)19-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16,17,18)
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0.324n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50089889
PNG
(6-(4-Phenyl-butylamino)-1H-pyrimidine-2,4-dione | ...)
Show SMILES O=c1cc(NCCCCc2ccccc2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C14H17N3O2/c18-13-10-12(16-14(19)17-13)15-9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H3,15,16,17,18,19)
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0.580n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511014
PNG
(CHEMBL4547165)
Show SMILES CCc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C14H17N3O2/c1-2-10-3-5-11(6-4-10)7-8-15-12-9-13(18)17-14(19)16-12/h3-6,9H,2,7-8H2,1H3,(H3,15,16,17,18,19)
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0.582n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50189502
PNG
(CHEMBL3827832)
Show SMILES CCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-13-10-9-11(16)15-12(17)14-10/h9H,2-8H2,1H3,(H3,13,14,15,16,17)
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0.626n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511013
PNG
(CHEMBL4538049)
Show SMILES Clc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H12ClN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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0.650n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50189515
PNG
(CHEMBL3828415)
Show SMILES Oc1cc(O)nc(SCCCc2ccccc2)n1
Show InChI InChI=1S/C13H14N2O2S/c16-11-9-12(17)15-13(14-11)18-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,14,15,16,17)
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0.700n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511011
PNG
(CHEMBL125436)
Show SMILES CCCCCCCCCCNc1cc(O)nc(O)n1
Show InChI InChI=1S/C14H25N3O2/c1-2-3-4-5-6-7-8-9-10-15-12-11-13(18)17-14(19)16-12/h11H,2-10H2,1H3,(H3,15,16,17,18,19)
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0.726n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511042
PNG
(CHEMBL4468895)
Show SMILES CCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-2-3-4-5-6-7-12-9-8-10(15)14-11(16)13-9/h8H,2-7H2,1H3,(H3,12,13,14,15,16)
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0.866n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511010
PNG
(CHEMBL4521587)
Show SMILES CCCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-2-3-4-5-6-7-8-9-14-11-10-12(17)16-13(18)15-11/h10H,2-9H2,1H3,(H3,14,15,16,17,18)
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1.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511001
PNG
(CHEMBL4439640)
Show SMILES Cc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C13H15N3O2/c1-9-2-4-10(5-3-9)6-7-14-11-8-12(17)16-13(18)15-11/h2-5,8H,6-7H2,1H3,(H3,14,15,16,17,18)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511044
PNG
(CHEMBL4580884)
Show SMILES CC(C)(C)c1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)12-6-4-11(5-7-12)8-9-17-13-10-14(20)19-15(21)18-13/h4-7,10H,8-9H2,1-3H3,(H3,17,18,19,20,21)
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1.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50189503
PNG
(CHEMBL3828298)
Show SMILES CCCCCCCCCc1cc(O)cc(O)n1
Show InChI InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)
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1.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511046
PNG
(CHEMBL4528940)
Show SMILES O=c1cc(NCCCOc2ccccc2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H15N3O3/c17-12-9-11(15-13(18)16-12)14-7-4-8-19-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H3,14,15,16,17,18)
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2.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50510998
PNG
(CHEMBL4571353)
Show SMILES Clc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c(Cl)c1
Show InChI InChI=1S/C12H11Cl2N3O2/c13-8-2-1-7(9(14)5-8)3-4-15-10-6-11(18)17-12(19)16-10/h1-2,5-6H,3-4H2,(H3,15,16,17,18,19)
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2.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511025
PNG
(CHEMBL4438595)
Show SMILES Oc1cc(=O)[nH]c(SCCc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C12H11ClN2O2S/c13-9-3-1-8(2-4-9)5-6-18-12-14-10(16)7-11(17)15-12/h1-4,7H,5-6H2,(H2,14,15,16,17)
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2.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50028344
PNG
(6-Hexylamino-1H-pyrimidine-2,4-dione | CHEMBL12497...)
Show SMILES CCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C10H17N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h7H,2-6H2,1H3,(H3,11,12,13,14,15)
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3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511019
PNG
(CHEMBL4528577)
Show SMILES O=c1cc(NCCOc2ccccc2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C12H13N3O3/c16-11-8-10(14-12(17)15-11)13-6-7-18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16,17)
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3.10n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511049
PNG
(CHEMBL4562761)
Show SMILES Oc1cc(=O)[nH]c(SCCc2ccc(Br)cc2)n1
Show InChI InChI=1S/C12H11BrN2O2S/c13-9-3-1-8(2-4-9)5-6-18-12-14-10(16)7-11(17)15-12/h1-4,7H,5-6H2,(H2,14,15,16,17)
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3.20n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511026
PNG
(CHEMBL4534827)
Show SMILES Cc1ccc(CCSc2nc(O)cc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H14N2O2S/c1-9-2-4-10(5-3-9)6-7-18-13-14-11(16)8-12(17)15-13/h2-5,8H,6-7H2,1H3,(H2,14,15,16,17)
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3.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511020
PNG
(CHEMBL4568775)
Show SMILES CCCCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-4-5-6-7-8-9-16(2)11-10-12(17)15-13(18)14-11/h10H,3-9H2,1-2H3,(H2,14,15,17,18)
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3.60n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511003
PNG
(CHEMBL4467630)
Show SMILES Oc1cc(=O)[nH]c(SCCc2ccc(F)cc2)n1
Show InChI InChI=1S/C12H11FN2O2S/c13-9-3-1-8(2-4-9)5-6-18-12-14-10(16)7-11(17)15-12/h1-4,7H,5-6H2,(H2,14,15,16,17)
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3.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511053
PNG
(CHEMBL4468678)
Show SMILES Brc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H12BrN3O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(17)16-12(18)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17,18)
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4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511016
PNG
(CHEMBL4473999)
Show SMILES Clc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H12ClN3O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(17)16-12(18)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17,18)
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4.80n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511035
PNG
(CHEMBL4451909)
Show SMILES CCCCCCN(C)c1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-3-4-5-6-7-14(2)9-8-10(15)13-11(16)12-9/h8H,3-7H2,1-2H3,(H2,12,13,15,16)
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6.90n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511015
PNG
(CHEMBL4474487)
Show SMILES Fc1cccc(CCNc2cc(=O)[nH]c(=O)[nH]2)c1
Show InChI InChI=1S/C12H12FN3O2/c13-9-3-1-2-8(6-9)4-5-14-10-7-11(17)16-12(18)15-10/h1-3,6-7H,4-5H2,(H3,14,15,16,17,18)
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9.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511043
PNG
(CHEMBL4565153)
Show SMILES Fc1ccc(CCNc2cc(=O)[nH]c(=O)[nH]2)cc1
Show InChI InChI=1S/C12H12FN3O2/c13-9-3-1-8(2-4-9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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11n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50089887
PNG
(6-Phenethylamino-1H-pyrimidine-2,4-dione | CHEMBL3...)
Show SMILES O=c1cc(NCCc2ccccc2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C12H13N3O2/c16-11-8-10(14-12(17)15-11)13-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,13,14,15,16,17)
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11n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50510999
PNG
(CHEMBL4575870)
Show SMILES O=c1cc([nH]c(=O)[nH]1)N1CCN(CC1)C1CCc2ccccc12
Show InChI InChI=1S/C17H20N4O2/c22-16-11-15(18-17(23)19-16)21-9-7-20(8-10-21)14-6-5-12-3-1-2-4-13(12)14/h1-4,11,14H,5-10H2,(H2,18,19,22,23)
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15n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511021
PNG
(CHEMBL4517538)
Show SMILES O=c1cc([nH]c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C16H19N3O2/c20-15-11-14(17-16(21)18-15)19-8-6-13(7-9-19)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H2,17,18,20,21)
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19n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50078850
PNG
(CHEBI:4778 | Embelin)
Show SMILES CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |c:11,t:16|
Show InChI InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3
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24n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511024
PNG
(CHEMBL4566117)
Show SMILES CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C12H20BrN3O2/c1-2-3-4-5-6-7-8-14-10-9(13)11(17)16-12(18)15-10/h2-8H2,1H3,(H3,14,15,16,17,18)
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35n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511045
PNG
(CHEMBL4534071)
Show SMILES Clc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C12H12ClN3O2/c13-9-4-2-1-3-8(9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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36n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511017
PNG
(CHEMBL4449633)
Show SMILES Fc1ccccc1CCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C12H12FN3O2/c13-9-4-2-1-3-8(9)5-6-14-10-7-11(17)16-12(18)15-10/h1-4,7H,5-6H2,(H3,14,15,16,17,18)
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36n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511048
PNG
(CHEMBL4462370)
Show SMILES CCCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O
Show InChI InChI=1S/C12H20N4O3/c1-2-3-4-5-6-7-8-13-10-9(16-19)11(17)15-12(18)14-10/h2-8H2,1H3,(H3,13,14,15,17,18)
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37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511032
PNG
(CHEMBL4541166)
Show SMILES CCC\C=C\CNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C10H15N3O2/c1-2-3-4-5-6-11-8-7-9(14)13-10(15)12-8/h4-5,7H,2-3,6H2,1H3,(H3,11,12,13,14,15)/b5-4+
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37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511037
PNG
(CHEMBL4574495)
Show SMILES Oc1cc(=O)[nH]c(SCCc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-8(2-4-9)5-6-21-12-17-10(19)7-11(20)18-12/h1-4,7H,5-6H2,(H2,17,18,19,20)
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37n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511022
PNG
(CHEMBL4584001)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)c1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C14H15ClN4O2/c15-10-1-3-11(4-2-10)18-5-7-19(8-6-18)12-9-13(20)17-14(21)16-12/h1-4,9H,5-8H2,(H2,16,17,20,21)
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44n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511040
PNG
(CHEMBL4466657)
Show SMILES O=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1
Show InChI InChI=1S/C10H11N3O2S/c14-9-6-8(12-10(15)13-9)11-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H3,11,12,13,14,15)
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49n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511036
PNG
(CHEMBL4574715)
Show SMILES CCCCCCCNc1[nH]c(=O)[nH]c(=O)c1N=O
Show InChI InChI=1S/C11H18N4O3/c1-2-3-4-5-6-7-12-9-8(15-18)10(16)14-11(17)13-9/h2-7H2,1H3,(H3,12,13,14,16,17)
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59n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511047
PNG
(CHEMBL4459188)
Show SMILES O=c1cc([nH]c(=O)[nH]1)N1CCN(Cc2cccc3ccccc23)CC1
Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(20-19(25)21-18)23-10-8-22(9-11-23)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,24,25)
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63n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50028336
PNG
(6-Pentylamino-1H-pyrimidine-2,4-dione | CHEMBL1243...)
Show SMILES CCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C9H15N3O2/c1-2-3-4-5-10-7-6-8(13)12-9(14)11-7/h6H,2-5H2,1H3,(H3,10,11,12,13,14)
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91n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511006
PNG
(CHEBI:32368 | FEMA NO. 3245 | NSC-7885 | Undecanoa...)
Show SMILES CCCCCCCCCCC(O)=O
Show InChI InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
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108n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511002
PNG
(CHEMBL4288936)
Show SMILES CCCCCCCCCC(O)CC(O)=O
Show InChI InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)
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110n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511041
PNG
(CHEMBL4442407)
Show SMILES CCCCCCSc1nc(O)cc(n1)C(O)=O
Show InChI InChI=1S/C11H16N2O3S/c1-2-3-4-5-6-17-11-12-8(10(15)16)7-9(14)13-11/h7H,2-6H2,1H3,(H,15,16)(H,12,13,14)
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145n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511039
PNG
(CHEMBL4434708)
Show SMILES O=Nc1c(NCCCc2ccccc2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C13H14N4O3/c18-12-10(17-20)11(15-13(19)16-12)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,18,19)
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189n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511023
PNG
(CHEMBL4456565)
Show SMILES CCCCCCNc1[nH]c(=O)[nH]c(=O)c1Br
Show InChI InChI=1S/C10H16BrN3O2/c1-2-3-4-5-6-12-8-7(11)9(15)14-10(16)13-8/h2-6H2,1H3,(H3,12,13,14,15,16)
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225n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511012
PNG
(CHEMBL4455292)
Show SMILES OCCCCCCCNc1cc(=O)[nH]c(=O)[nH]1
Show InChI InChI=1S/C11H19N3O3/c15-7-5-3-1-2-4-6-12-9-8-10(16)14-11(17)13-9/h8,15H,1-7H2,(H3,12,13,14,16,17)
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267n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50511008
PNG
(CHEBI:59270 | CHEMBL2004471)
Show SMILES CCCCCCCCCCCCC(O)C(O)=O
Show InChI InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
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318n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
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