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Compile Data Set for Download or QSAR

Found 1199 hits with Last Name = 'pillaiyar' and Initial = 't'   
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))		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))		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))		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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429243
PNG
(jm5b01461, Compound 60)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1
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 3n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429243
PNG
(jm5b01461, Compound 60)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1cccc(c1)N(C)C)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C35H46N6O6S/c1-20(2)16-27(38-33(45)29(21(3)4)40-35(46)47-19-22-10-9-11-24(17-22)41(5)6)32(44)37-26(18-23-14-15-36-31(23)43)30(42)34-39-25-12-7-8-13-28(25)48-34/h7-13,17,20-21,23,26-27,29H,14-16,18-19H2,1-6H3,(H,36,43)(H,37,44)(H,38,45)(H,40,46)/t23-,26-,27-,29-/m0/s1
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 3.10n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429242
PNG
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1
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 6n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429242
PNG
(acs.jmedchem.1c00409_ST.4 | jm5b01461, Compound 59)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H33N5O5S/c1-16(2)13-22(34-29(39)23-15-18-19(32-23)8-6-9-24(18)40-3)28(38)33-21(14-17-11-12-31-27(17)37)26(36)30-35-20-7-4-5-10-25(20)41-30/h4-10,15-17,21-22,32H,11-14H2,1-3H3,(H,31,37)(H,33,38)(H,34,39)/t17-,21-,22-/m0/s1
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 6n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM59242
PNG
(Benzotriazole ester, 8 | acs.jmedchem.1c00409_ST.6...)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C15H10N4O2/c20-15(11-5-6-12-10(9-11)7-8-16-12)21-19-14-4-2-1-3-13(14)17-18-19/h1-9,16H
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 7.5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429296
PNG
(jm5b01461, Compound 116)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C16H10N4O3/c21-15(11-5-6-12-10(9-11)7-8-17-12)16(22)23-20-14-4-2-1-3-13(14)18-19-20/h1-9,17H
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 7.5n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429294
PNG
(jm5b01461, Compound 114)
Show SMILES CCN(CC)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C18H18N4O3/c1-3-21(4-2)14-11-9-13(10-12-14)17(23)18(24)25-22-16-8-6-5-7-15(16)19-20-22/h5-12H,3-4H2,1-2H3
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 11n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429297
PNG
(jm5b01461, Compound 117)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C16H10N4O3/c21-15(13-9-10-5-1-2-6-11(10)17-13)16(22)23-20-14-8-4-3-7-12(14)18-19-20/h1-9,17H
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 12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429293
PNG
(jm5b01461, Compound 113)
Show SMILES CNc1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H12N4O3/c1-16-11-8-6-10(7-9-11)14(20)15(21)22-19-13-5-3-2-4-12(13)17-18-19/h2-9,16H,1H3
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 12n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50597397
PNG
(CHEMBL5194755)
Show SMILES Brc1ccc(cc1)-c1ccc(o1)C(=O)Sc1nc2ccccc2s1
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 13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50597385
PNG
(CHEMBL5169323)
Show SMILES O=C(Sc1ncccn1)c1cc2ccccc2[nH]1
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 14n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM59238
PNG
(Benzotriazole ester, 4 | acs.jmedchem.1c00409_ST.1...)
Show SMILES CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
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Article
PubMed
 17n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429292
PNG
(jm5b01461, Compound 112)
Show SMILES CN(C)c1ccc(cc1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C16H14N4O3/c1-19(2)12-9-7-11(8-10-12)15(21)16(22)23-20-14-6-4-3-5-13(14)17-18-20/h3-10H,1-2H3
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 17n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM59237
PNG
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)
Show SMILES Nc1ccccc1C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
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PubMed
 20n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM59237
PNG
(Benzotriazole ester, 3 | acs.jmedchem.1c00409_ST.1...)
Show SMILES Nc1ccccc1C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C13H10N4O2/c14-10-6-2-1-5-9(10)13(18)19-17-12-8-4-3-7-11(12)15-16-17/h1-8H,14H2
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 20n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50597384
PNG
(CHEMBL5191017)
Show SMILES Cc1nnc(SC(=O)c2ccc3ccccc3c2)s1
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 21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM50597394
PNG
(CHEMBL5178465)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Sc1ncccn1 |r|
PDB
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 21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00636
BindingDB Entry DOI: 10.7270/Q29S1W2C
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429295
PNG
(jm5b01461, Compound 115)
Show SMILES O=C(On1nnc2ccccc12)C(=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C15H9N5O3/c21-14(9-5-6-10-12(7-9)17-8-16-10)15(22)23-20-13-4-2-1-3-11(13)18-19-20/h1-8H,(H,16,17)
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 23n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429417
PNG
(acs.jmedchem.1c00409_ST.20 | med.21724, Compound 9...)
Show SMILES O=C(On1nnc2ccccc12)c1ccc2[nH]cnc2c1
Show InChI InChI=1S/C14H9N5O2/c20-14(9-5-6-10-12(7-9)16-8-15-10)21-19-13-4-2-1-3-11(13)17-18-19/h1-8H,(H,15,16)
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UniChem
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PubMed
 23n/an/an/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.

Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
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