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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50001391   
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
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278725
PNG
(CHEMBL4172769)
Show SMILES OCc1ccccc1COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C18H14Cl3N3O4S/c19-13-6-3-7-14(16(13)21)29(26,27)24-17-18(23-15(20)8-22-17)28-10-12-5-2-1-4-11(12)9-25/h1-8,25H,9-10H2,(H,22,24)
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n/an/a 0.316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278758
PNG
(CHEMBL4167445)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccnc2)n1
Show InChI InChI=1S/C16H11Cl3N4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23)
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278799
PNG
(CHEMBL4162364)
Show SMILES COc1nc(F)c(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H7Cl2F2N3O3S/c1-21-11-10(16-8(14)9(15)17-11)18-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,16,18)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278793
PNG
(CHEMBL4160218)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCC#C)n1
Show InChI InChI=1S/C13H8Cl3N3O3S/c1-2-6-22-13-12(17-7-10(15)18-13)19-23(20,21)9-5-3-4-8(14)11(9)16/h1,3-5,7H,6H2,(H,17,19)
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Canis lupus familiaris)
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278797
PNG
(CHEMBL4160846)
Show SMILES COc1nc(CO)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H10Cl3N3O4S/c1-22-12-11(17-10(15)7(5-19)16-12)18-23(20,21)8-4-2-3-6(13)9(8)14/h2-4,19H,5H2,1H3,(H,17,18)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278794
PNG
(CHEMBL4175323)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cccc(Br)c2)n1
Show InChI InChI=1S/C17H11BrCl3N3O3S/c18-11-4-1-3-10(7-11)9-27-17-16(22-8-14(20)23-17)24-28(25,26)13-6-2-5-12(19)15(13)21/h1-8H,9H2,(H,22,24)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278727
PNG
(CHEMBL4173046)
Show SMILES COc1ncc(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(16-8(14)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,16,17)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50378979
PNG
(CHEMBL2011441)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at mouse CCR4


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278787
PNG
(CHEMBL4173861)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1scc(Cl)c1Cl
Show InChI InChI=1S/C9H6Cl3N3O3S2/c1-18-8-7(13-2-5(11)14-8)15-20(16,17)9-6(12)4(10)3-19-9/h2-3H,1H3,(H,13,15)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278801
PNG
(CHEMBL4165356)
Show SMILES COc1ncc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(16-8(13)5-15-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,16,17)
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n/an/a 7.90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Mus musculus)
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278785
PNG
(CHEMBL4170431)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H,15,17)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278723
PNG
(CHEMBL4162097)
Show SMILES Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cncnc2)n1
Show InChI InChI=1S/C15H10Cl3N5O3S/c16-10-2-1-3-11(13(10)18)27(24,25)23-14-15(22-12(17)6-21-14)26-7-9-4-19-8-20-5-9/h1-6,8H,7H2,(H,21,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278786
PNG
(CHEMBL4165939)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl3N3O3S/c1-20-11-10(15-5-8(13)16-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,15,17)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278800
PNG
(CHEMBL4175972)
Show SMILES CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1
Show InChI InChI=1S/C13H13Cl2N3O4S/c1-3-22-10-7-16-12(13(17-10)21-2)18-23(19,20)9-6-4-5-8(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,18)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278738
PNG
(CHEMBL4162555)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(F)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)7-4-2-3-6(14)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278749
PNG
(CHEMBL4170833)
Show SMILES CC(C)COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H14Cl3N3O3S/c1-8(2)7-23-14-13(18-6-11(16)19-14)20-24(21,22)10-5-3-4-9(15)12(10)17/h3-6,8H,7H2,1-2H3,(H,18,20)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278802
PNG
(CHEMBL4164738)
Show SMILES COc1nccnc1NS(=O)(=O)c1scc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N3O3S2/c1-17-8-7(12-2-3-13-8)14-19(15,16)9-6(11)5(10)4-18-9/h2-4H,1H3,(H,12,14)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278761
PNG
(CHEMBL4168237)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1C
Show InChI InChI=1S/C12H11Cl2N3O3S/c1-7-8(13)4-3-5-9(7)21(18,19)17-11-12(20-2)16-10(14)6-15-11/h3-6H,1-2H3,(H,15,17)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278759
PNG
(CHEMBL4168775)
Show SMILES COc1nc(CO)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H11Cl2N3O4S/c1-21-12-11(15-5-7(6-18)16-12)17-22(19,20)9-4-2-3-8(13)10(9)14/h2-5,18H,6H2,1H3,(H,15,17)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Canis lupus familiaris)
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in CHO cells coexpressing CD4+ assessed as inhibition of CCL22 induced Ca2+ mobilization


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278726
PNG
(CHEMBL4172568)
Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H11Cl2N3O3S/c1-7-6-15-11(12(16-7)20-2)17-21(18,19)9-5-3-4-8(13)10(9)14/h3-6H,1-2H3,(H,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278750
PNG
(CHEMBL4160139)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1sc(Cl)cc1Br
Show InChI InChI=1S/C9H6Br2ClN3O3S2/c1-18-8-7(13-3-5(11)14-8)15-20(16,17)9-4(10)2-6(12)19-9/h2-3H,1H3,(H,13,15)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278728
PNG
(CHEMBL4160463)
Show SMILES COc1nc(CO)c(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H13Cl2N3O4S/c1-7-9(6-19)17-13(22-2)12(16-7)18-23(20,21)10-5-3-4-8(14)11(10)15/h3-5,19H,6H2,1-2H3,(H,16,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278796
PNG
(CHEMBL4164247)
Show SMILES COc1ncc(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C12H11Cl2N3O3S/c1-7-6-15-12(20-2)11(16-7)17-21(18,19)9-5-3-4-8(13)10(9)14/h3-6H,1-2H3,(H,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278788
PNG
(CHEMBL4160965)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(c1Cl)C(F)(F)F
Show InChI InChI=1S/C12H8Cl2F3N3O3S/c1-23-11-10(18-5-8(13)19-11)20-24(21,22)7-4-2-3-6(9(7)14)12(15,16)17/h2-5H,1H3,(H,18,20)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Effective concentration required to inhibit HIV-1 induced cytopathicity by 50% in CEM cells


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278739
PNG
(CHEMBL4171579)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1C#N
Show InChI InChI=1S/C12H8Cl2N4O3S/c1-21-12-11(16-6-10(14)17-12)18-22(19,20)9-4-2-3-8(13)7(9)5-15/h2-4,6H,1H3,(H,16,18)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50378979
PNG
(CHEMBL2011441)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278722
PNG
(CHEMBL4176082)
Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(13)16-11)17-21(18,19)7-4-2-3-6(12)9(7)14/h2-5H,1H3,(H,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278764
PNG
(CHEMBL4166246)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C11H9BrClN3O3S/c1-19-11-10(14-6-9(12)15-11)16-20(17,18)8-4-2-3-7(13)5-8/h2-6H,1H3,(H,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278751
PNG
(CHEMBL4159115)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-9(12)16-11)17-21(18,19)8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278765
PNG
(CHEMBL4176859)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C11H9BrClN3O3S/c1-19-11-10(14-6-9(12)15-11)16-20(17,18)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278757
PNG
(CHEMBL4176441)
Show SMILES CCCCOc1nc(Br)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H14BrCl2N3O3S/c1-2-3-7-23-14-13(18-8-11(15)19-14)20-24(21,22)10-6-4-5-9(16)12(10)17/h4-6,8H,2-3,7H2,1H3,(H,18,20)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278734
PNG
(CHEMBL4167390)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C11H9BrClN3O3S/c1-19-11-10(14-6-9(12)15-11)16-20(17,18)8-5-3-2-4-7(8)13/h2-6H,1H3,(H,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278790
PNG
(CHEMBL4165500)
Show SMILES CCOc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C10H9BrClN3O3S2/c1-2-18-10-9(13-5-6(11)14-10)15-20(16,17)8-4-3-7(12)19-8/h3-5H,2H2,1H3,(H,13,15)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278737
PNG
(CHEMBL4162503)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-9(12)16-11)17-21(18,19)6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,15,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50378979
PNG
(CHEMBL2011441)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C9H7BrClN3O3S2/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of [125I]-MIP-1 alpha binding to human CCR5 receptor expressed in Chinese hamster ovary (CHO) cells


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278798
PNG
(CHEMBL4172635)
Show SMILES COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of NADH oxidase activity in sub-mitochondrial particles from bovine heart


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL22 induced chemotaxis


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278724
PNG
(CHEMBL4169247)
Show SMILES COc1nccnc1NS(=O)(=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C11H9Cl2N3O3S/c1-19-11-10(14-5-6-15-11)16-20(17,18)8-4-2-3-7(12)9(8)13/h2-6H,1H3,(H,14,16)
UniProtKB/SwissProt

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UniChem
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n/an/a 501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR4 expressed in Th2 cells coexpressing CD45RA+ assessed as inhibition of CCL17 induced chemotaxis


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278760
PNG
(CHEMBL4174488)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C9H8BrN3O3S2/c1-16-9-8(11-5-6(10)12-9)13-18(14,15)7-3-2-4-17-7/h2-5H,1H3,(H,11,13)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278735
PNG
(CHEMBL4174254)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C11H8BrCl2N3O3S/c1-20-11-10(15-5-8(12)16-11)17-21(18,19)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H,15,17)
UniProtKB/SwissProt

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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4


(Homo sapiens (Human))
BDBM50278763
PNG
(CHEMBL4175259)
Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C11H10BrN3O3S/c1-18-11-10(13-7-9(12)14-11)15-19(16,17)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,15)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human CCR4 expressed in CHO-K1 cells assessed as inhibition of CCL22 induced Ca2+ mobilization after 2 hrs by FMAT...


ACS Med Chem Lett 8: 981-986 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00315
BindingDB Entry DOI: 10.7270/Q2KD21DK
More data for this
Ligand-Target Pair
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