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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with Target = 'C-X3-C chemokine receptor 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432452
PNG
(CHEMBL2349310)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14+/m0/s1
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3.90n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432439
PNG
(CHEMBL2349322)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Br)nc2nc(N)sc12
Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1
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4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432471
PNG
(CHEMBL2349316)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2F)nc2nc(N)sc12
Show InChI InChI=1S/C19H24FN5OS2/c1-10(2)8-12(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(3)13-6-4-5-7-14(13)20/h4-7,10-12,26H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t11-,12+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432466
PNG
(CHEMBL2349180)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C18H22ClN5O2S2/c1-9(2)6-12(8-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-10(3)13-7-11(19)4-5-20-13/h4-5,7,9-10,12,25H,6,8H2,1-3H3,(H2,21,22,23,24,26)/t10-,12+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432467
PNG
(CHEMBL2349179)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)nc2nc(N)sc12
Show InChI InChI=1S/C18H23ClN6OS2/c1-9(2)6-12(8-26)22-15-14-16(23-17(20)28-14)25-18(24-15)27-10(3)13-7-11(19)4-5-21-13/h4-5,7,9-10,12,26H,6,8H2,1-3H3,(H3,20,22,23,24,25)/t10-,12+/m0/s1
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6.20n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432450
PNG
(CHEMBL2349312)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C19H24N4O2S2/c1-11(2)9-14(10-24)20-16-15-17(23-19(25)27-15)22-18(21-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H2,20,21,22,23,25)/t12-,14+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432449
PNG
(CHEMBL2349313)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@H](C)c2ccccc2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C19H24N4O2S2/c1-11(2)9-14(10-24)20-16-15-17(23-19(25)27-15)22-18(21-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,24H,9-10H2,1-3H3,(H2,20,21,22,23,25)/t12-,14-/m1/s1
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8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432429
PNG
(CHEMBL2349332)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccc(Br)cc2F)nc2nc(N)sc12
Show InChI InChI=1S/C18H21BrFN5OS2/c1-9(2)5-12(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-3-4-11(19)6-13(10)20/h3-4,6,9,12,26H,5,7-8H2,1-2H3,(H3,21,22,23,24,25)/t12-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432455
PNG
(CHEMBL2349303)
Show SMILES COC(=O)[C@@H](CC(C)C)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C19H23N5O2S2/c1-11(2)9-13(17(25)26-3)21-15-14-16(22-18(20)28-14)24-19(23-15)27-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t13-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432427
PNG
(CHEMBL2349306)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C18H20F2N4O2S2/c1-9(2)6-11(7-25)21-15-14-16(24-18(26)28-14)23-17(22-15)27-8-10-4-3-5-12(19)13(10)20/h3-5,9,11,25H,6-8H2,1-2H3,(H2,21,22,23,24,26)/t11-/m1/s1
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10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432460
PNG
(CHEMBL2349314)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2ccccc2Br)nc2nc(N)sc12
Show InChI InChI=1S/C19H24BrN5OS2/c1-10(2)8-12(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(3)13-6-4-5-7-14(13)20/h4-7,10-12,26H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t11-,12+/m0/s1
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13n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432469
PNG
(CHEMBL2349318)
Show SMILES CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)C#N)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C19H21N5O2S2/c1-3-5-14(10-25)21-16-15-17(24-19(26)28-15)23-18(22-16)27-11(2)13-7-4-6-12(8-13)9-20/h4,6-8,11,14,25H,3,5,10H2,1-2H3,(H2,21,22,23,24,26)/t11-,14+/m0/s1
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14n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432451
PNG
(CHEMBL2349311)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@H](C)c2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C19H25N5OS2/c1-11(2)9-14(10-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-12(3)13-7-5-4-6-8-13/h4-8,11-12,14,25H,9-10H2,1-3H3,(H3,20,21,22,23,24)/t12-,14-/m1/s1
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18n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432464
PNG
(CHEMBL2349182)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C19H25N5OS2/c1-12(2)10-14(11-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-9-8-13-6-4-3-5-7-13/h3-7,12,14,25H,8-11H2,1-2H3,(H3,20,21,22,23,24)/t14-/m1/s1
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18n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432465
PNG
(CHEMBL2349181)
Show SMILES CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cnccc2Cl)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C17H20ClN5O2S2/c1-3-4-10(8-24)20-14-13-15(23-17(25)27-13)22-16(21-14)26-9(2)11-7-19-6-5-12(11)18/h5-7,9-10,24H,3-4,8H2,1-2H3,(H2,20,21,22,23,25)/t9-,10+/m0/s1
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21n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432437
PNG
(CHEMBL2349324)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12
Show InChI InChI=1S/C18H22FN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1
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23n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432468
PNG
(CHEMBL2349319)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)S(C)(=O)=O)nc2nc(N)sc12
Show InChI InChI=1S/C20H27N5O3S3/c1-11(2)8-14(10-26)22-17-16-18(23-19(21)30-16)25-20(24-17)29-12(3)13-6-5-7-15(9-13)31(4,27)28/h5-7,9,11-12,14,26H,8,10H2,1-4H3,(H3,21,22,23,24,25)/t12-,14+/m0/s1
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28n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432440
PNG
(CHEMBL2349321)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C18H22N4O2S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1
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30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432433
PNG
(CHEMBL2349328)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccc(Br)c2)nc2nc(N)sc12
Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)6-13(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-4-3-5-12(19)7-11/h3-5,7,10,13,25H,6,8-9H2,1-2H3,(H3,20,21,22,23,24)/t13-/m1/s1
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32n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432470
PNG
(CHEMBL2349317)
Show SMILES CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)C#N)nc2nc(N)sc12
Show InChI InChI=1S/C19H22N6OS2/c1-3-5-14(10-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(2)13-7-4-6-12(8-13)9-20/h4,6-8,11,14,26H,3,5,10H2,1-2H3,(H3,21,22,23,24,25)/t11-,14+/m0/s1
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42n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432456
PNG
(CHEMBL2349302)
Show SMILES COC(=O)[C@@H](CC(C)C)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12
Show InChI InChI=1S/C19H22ClN5O2S2/c1-10(2)8-13(17(26)27-3)22-15-14-16(23-18(21)29-14)25-19(24-15)28-9-11-6-4-5-7-12(11)20/h4-7,10,13H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t13-/m1/s1
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43n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432459
PNG
(CHEMBL2349186)
Show SMILES CC(C)C[C@H](CO)Nc1nc(OCc2ccccc2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C18H22N4O3S/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1
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44n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432431
PNG
(CHEMBL2349330)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccc(Br)cc2)nc2nc(N)sc12
Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)7-13(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-3-5-12(19)6-4-11/h3-6,10,13,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t13-/m1/s1
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47n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432446
PNG
(CHEMBL2349335)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C18H23N5OS2/c1-11(2)8-13(9-24)20-15-14-16(21-17(19)26-14)23-18(22-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,24H,8-10H2,1-2H3,(H3,19,20,21,22,23)/t13-/m1/s1
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48n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432438
PNG
(CHEMBL2349323)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12
Show InChI InChI=1S/C18H22ClN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1
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51n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432436
PNG
(CHEMBL2349325)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2C)nc2nc(N)sc12
Show InChI InChI=1S/C19H25N5OS2/c1-11(2)8-14(9-25)21-16-15-17(22-18(20)27-15)24-19(23-16)26-10-13-7-5-4-6-12(13)3/h4-7,11,14,25H,8-10H2,1-3H3,(H3,20,21,22,23,24)/t14-/m1/s1
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70n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432428
PNG
(CHEMBL2349333)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C18H21F2N5OS2/c1-9(2)6-11(7-26)22-15-14-16(23-17(21)28-14)25-18(24-15)27-8-10-4-3-5-12(19)13(10)20/h3-5,9,11,26H,6-8H2,1-2H3,(H3,21,22,23,24,25)/t11-/m1/s1
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71n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432432
PNG
(CHEMBL2349329)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccc(c2)C#N)nc2nc(N)sc12
Show InChI InChI=1S/C19H22N6OS2/c1-11(2)6-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-5-3-4-12(7-13)8-20/h3-5,7,11,14,26H,6,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1
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91n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432457
PNG
(CHEMBL2349301)
Show SMILES CC(C)C[C@H](CCO)Nc1nc(SCc2ccccc2Cl)nc2nc(N)sc12
Show InChI InChI=1S/C19H24ClN5OS2/c1-11(2)9-13(7-8-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-12-5-3-4-6-14(12)20/h3-6,11,13,26H,7-10H2,1-2H3,(H3,21,22,23,24,25)/t13-/m0/s1
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91n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432434
PNG
(CHEMBL2349327)
Show SMILES COc1ccccc1CSc1nc(N[C@@H](CO)CC(C)C)c2sc(N)nc2n1
Show InChI InChI=1S/C19H25N5O2S2/c1-11(2)8-13(9-25)21-16-15-17(22-18(20)28-15)24-19(23-16)27-10-12-6-4-5-7-14(12)26-3/h4-7,11,13,25H,8-10H2,1-3H3,(H3,20,21,22,23,24)/t13-/m1/s1
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99n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432442
PNG
(CHEMBL2349339)
Show SMILES CCC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C17H21N5OS2/c1-2-6-12(9-23)19-14-13-15(20-16(18)25-13)22-17(21-14)24-10-11-7-4-3-5-8-11/h3-5,7-8,12,23H,2,6,9-10H2,1H3,(H3,18,19,20,21,22)/t12-/m1/s1
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100n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432448
PNG
(CHEMBL2349315)
Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@H](C)c2ccccc2Br)nc2nc(N)sc12
Show InChI InChI=1S/C19H24BrN5OS2/c1-10(2)8-12(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11(3)13-6-4-5-7-14(13)20/h4-7,10-12,26H,8-9H2,1-3H3,(H3,21,22,23,24,25)/t11-,12-/m1/s1
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102n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432463
PNG
(CHEMBL2349183)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCCCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C20H27N5OS2/c1-13(2)11-15(12-26)22-17-16-18(23-19(21)28-16)25-20(24-17)27-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15,26H,6,9-12H2,1-2H3,(H3,21,22,23,24,25)/t15-/m1/s1
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110n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432462
PNG
(CHEMBL2349184)
Show SMILES CC(C)C[C@H](CO)Nc1nc([nH]c2nc(=O)sc12)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C18H22N4O4S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)27-14)21-17(20-15)28(25,26)10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-/m1/s1
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110n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432435
PNG
(CHEMBL2349326)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2C#N)nc2nc(N)sc12
Show InChI InChI=1S/C19H22N6OS2/c1-11(2)7-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-6-4-3-5-12(13)8-20/h3-6,11,14,26H,7,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1
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120n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432441
PNG
(CHEMBL2349320)
Show SMILES CC(C)(C)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C18H23N5OS2/c1-18(2,3)12(9-24)20-14-13-15(21-16(19)26-13)23-17(22-14)25-10-11-7-5-4-6-8-11/h4-8,12,24H,9-10H2,1-3H3,(H3,19,20,21,22,23)/t12-/m0/s1
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190n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432454
PNG
(CHEMBL2349304)
Show SMILES CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(N)=O
Show InChI InChI=1S/C18H22N6OS2/c1-10(2)8-12(14(19)25)21-15-13-16(22-17(20)27-13)24-18(23-15)26-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,19,25)(H3,20,21,22,23,24)/t12-/m1/s1
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220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432444
PNG
(CHEMBL2349337)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)c2s1
Show InChI InChI=1S/C20H19N5OS2/c21-19-23-18-16(28-19)17(22-15(11-26)14-9-5-2-6-10-14)24-20(25-18)27-12-13-7-3-1-4-8-13/h1-10,15,26H,11-12H2,(H3,21,22,23,24,25)/t15-/m0/s1
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220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432461
PNG
(CHEMBL2349185)
Show SMILES CC(C)C[C@H](CO)Nc1nc([nH]c2nc(=O)sc12)S(=O)Cc1ccccc1
Show InChI InChI=1S/C18H22N4O3S2/c1-11(2)8-13(9-23)19-15-14-16(22-18(24)26-14)21-17(20-15)27(25)10-12-6-4-3-5-7-12/h3-7,11,13,23H,8-10H2,1-2H3,(H2,19,20,21,22,24)/t13-,27?/m1/s1
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280n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432453
PNG
(CHEMBL2349305)
Show SMILES CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(O)=O
Show InChI InChI=1S/C18H21N5O2S2/c1-10(2)8-12(16(24)25)20-14-13-15(21-17(19)27-13)23-18(22-14)26-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,24,25)(H3,19,20,21,22,23)/t12-/m1/s1
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320n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432426
PNG
(CHEMBL2349307)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccn2)nc2nc(N)sc12
Show InChI InChI=1S/C17H22N6OS2/c1-10(2)7-12(8-24)20-14-13-15(21-16(18)26-13)23-17(22-14)25-9-11-5-3-4-6-19-11/h3-6,10,12,24H,7-9H2,1-2H3,(H3,18,20,21,22,23)/t12-/m1/s1
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360n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432447
PNG
(CHEMBL2349334)
Show SMILES CC[C@H](CO)Nc1nc(SCc2ccccc2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C16H18N4O2S2/c1-2-11(8-21)17-13-12-14(20-16(22)24-12)19-15(18-13)23-9-10-6-4-3-5-7-10/h3-7,11,21H,2,8-9H2,1H3,(H2,17,18,19,20,22)/t11-/m1/s1
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560n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432445
PNG
(CHEMBL2349336)
Show SMILES CC(C)C[C@@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C18H23N5OS2/c1-11(2)8-13(9-24)20-15-14-16(21-17(19)26-14)23-18(22-15)25-10-12-6-4-3-5-7-12/h3-7,11,13,24H,8-10H2,1-2H3,(H3,19,20,21,22,23)/t13-/m0/s1
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600n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432443
PNG
(CHEMBL2349338)
Show SMILES CC(C)[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C17H21N5OS2/c1-10(2)12(8-23)19-14-13-15(20-16(18)25-13)22-17(21-14)24-9-11-6-4-3-5-7-11/h3-7,10,12,23H,8-9H2,1-2H3,(H3,18,19,20,21,22)/t12-/m0/s1
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640n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432425
PNG
(CHEMBL2349308)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2cccnc2)nc2nc(N)sc12
Show InChI InChI=1S/C17H22N6OS2/c1-10(2)6-12(8-24)20-14-13-15(21-16(18)26-13)23-17(22-14)25-9-11-4-3-5-19-7-11/h3-5,7,10,12,24H,6,8-9H2,1-2H3,(H3,18,20,21,22,23)/t12-/m1/s1
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670n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50177607
PNG
((R)-2-(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimi...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C16H19N5OS2/c1-2-11(8-22)18-13-12-14(19-15(17)24-12)21-16(20-13)23-9-10-6-4-3-5-7-10/h3-7,11,22H,2,8-9H2,1H3,(H3,17,18,19,20,21)/t11-/m1/s1
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770n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432424
PNG
(CHEMBL2349309)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccncc2)nc2nc(N)sc12
Show InChI InChI=1S/C17H22N6OS2/c1-10(2)7-12(8-24)20-14-13-15(21-16(18)26-13)23-17(22-14)25-9-11-3-5-19-6-4-11/h3-6,10,12,24H,7-9H2,1-2H3,(H3,18,20,21,22,23)/t12-/m1/s1
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900n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50371770
PNG
(CHEMBL271013)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C15H17N5OS2/c1-9(7-21)17-12-11-13(18-14(16)23-11)20-15(19-12)22-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20)/t9-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432430
PNG
(CHEMBL2349331)
Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccc(cc2)C#N)nc2nc(N)sc12
Show InChI InChI=1S/C19H22N6OS2/c1-11(2)7-14(9-26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-10-13-5-3-12(8-20)4-6-13/h3-6,11,14,26H,7,9-10H2,1-2H3,(H3,21,22,23,24,25)/t14-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens)
BDBM50432458
PNG
(CHEMBL2349187)
Show SMILES CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(C)(C)O
Show InChI InChI=1S/C20H27N5OS2/c1-12(2)10-14(20(3,4)26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11-13-8-6-5-7-9-13/h5-9,12,14,26H,10-11H2,1-4H3,(H3,21,22,23,24,25)/t14-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis


J Med Chem 56: 3177-90 (2013)

More data for this
Ligand-Target Pair
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