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Compile Data Set for Download or QSAR

Found 828 hits with Last Name = 'kers' and Initial = 'a'   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154756
PNG
(6-(4-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES CNCc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H19N3O/c1-20-12-13-5-7-14(8-6-13)17-11-15-3-2-4-16-18(15)22(17)10-9-21-19(16)23/h2-8,11,20H,9-10,12H2,1H3,(H,21,23)
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3.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
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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4.10n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis


J Med Chem 56: 3177-90 (2013)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50093374
PNG
(2-(4-Hydroxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2nc([nH]c12)-c1ccc(O)cc1
Show InChI InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154726
PNG
(6-(4-Fluoro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...)
Show SMILES Fc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H14FN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154730
PNG
(6-(4-((dimethylamino)methyl)phenyl)-3,4-dihydro-[1...)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-6-8-15(9-7-14)18-12-16-4-3-5-17-19(16)23(18)11-10-21-20(17)24/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
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6.40n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154750
PNG
(6-(4-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C22H19N3O/c26-22-19-5-3-4-18-14-20(25(21(18)19)13-10-23-22)17-8-6-16(7-9-17)15-24-11-1-2-12-24/h1-9,11-12,14H,10,13,15H2,(H,23,26)
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6.80n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154728
PNG
(6-(3-Methylaminomethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES CNCc1cccc(c1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C19H19N3O/c1-20-12-13-4-2-5-14(10-13)17-11-15-6-3-7-16-18(15)22(17)9-8-21-19(16)23/h2-7,10-11,20H,8-9,12H2,1H3,(H,21,23)
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6.90n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154739
PNG
(6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...)
Show SMILES Clc1ccc(cc1)-c1c(CN=O)c2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H14ClN3O2/c19-12-6-4-11(5-7-12)16-15(10-21-24)13-2-1-3-14-17(13)22(16)9-8-20-18(14)23/h1-7H,8-10H2,(H,20,23)
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7.5n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50393088
PNG
(CHEMBL2152903)
Show SMILES CCn1cc(cc(C)c1=O)[C@@]1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncc(c1)C#CC
Show InChI InChI=1S/C30H25FN4O/c1-4-8-20-14-22(17-33-16-20)21-9-6-10-23(15-21)30(24-13-19(3)29(36)35(5-2)18-24)25-11-7-12-26(31)27(25)28(32)34-30/h6-7,9-18H,5H2,1-3H3,(H2,32,34)/t30-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE2 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after ...


J Med Chem 55: 9346-61 (2012)


Article DOI: 10.1021/jm3009025
BindingDB Entry DOI: 10.7270/Q2WW7JTP
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154741
PNG
(6-(4-Methoxy-phenyl)-3,4-dihydro-2H-[1,4]diazepino...)
Show SMILES COc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H16N2O2/c1-22-14-7-5-12(6-8-14)16-11-13-3-2-4-15-17(13)20(16)10-9-19-18(15)21/h2-8,11H,9-10H2,1H3,(H,19,21)
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8.20n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154759
PNG
(6-(4-Fluoro-phenyl)-7-(1-hydroxyimino-ethyl)-3,4-d...)
Show SMILES CC(N=O)c1c(-c2ccc(F)cc2)n2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C19H16FN3O2/c1-11(22-25)16-14-3-2-4-15-18(14)23(10-9-21-19(15)24)17(16)12-5-7-13(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,24)
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9.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154740
PNG
(6-(3-Dimethylaminomethyl-phenyl)-3,4-dihydro-2H-[1...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C20H21N3O/c1-22(2)13-14-5-3-6-15(11-14)18-12-16-7-4-8-17-19(16)23(18)10-9-21-20(17)24/h3-8,11-12H,9-10,13H2,1-2H3,(H,21,24)
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9.10n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154735
PNG
(1-Oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]i...)
Show SMILES O=NCc1cn2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C12H11N3O2/c16-12-10-3-1-2-9-8(6-14-17)7-15(11(9)10)5-4-13-12/h1-3,7H,4-6H2,(H,13,16)
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9.40n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154729
PNG
(6-(4-Chloro-phenyl)-3,4-dihydro-2H-[1,4]diazepino[...)
Show SMILES Clc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H13ClN2O/c18-13-6-4-11(5-7-13)15-10-12-2-1-3-14-16(12)20(15)9-8-19-17(14)21/h1-7,10H,8-9H2,(H,19,21)
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11n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154723
PNG
(6-(4-Fluoro-phenyl)-3,4-dihydro-2H-[1,4]diazepino[...)
Show SMILES Fc1ccc(cc1)-c1cc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C17H13FN2O/c18-13-6-4-11(5-7-13)15-10-12-2-1-3-14-16(12)20(15)9-8-19-17(14)21/h1-7,10H,8-9H2,(H,19,21)
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11n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154742
PNG
(6-(3-Pyrrol-1-ylmethyl-phenyl)-3,4-dihydro-2H-[1,4...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1cccc(Cn2cccc2)c1
Show InChI InChI=1S/C22H19N3O/c26-22-19-8-4-7-18-14-20(25(21(18)19)12-9-23-22)17-6-3-5-16(13-17)15-24-10-1-2-11-24/h1-8,10-11,13-14H,9,12,15H2,(H,23,26)
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12.5n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154751
PNG
(6-Phenyl-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]in...)
Show SMILES O=C1NCCn2c(cc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C17H14N2O/c20-17-14-8-4-7-13-11-15(12-5-2-1-3-6-12)19(16(13)14)10-9-18-17/h1-8,11H,9-10H2,(H,18,20)
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14.3n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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17.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
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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21n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis


J Med Chem 56: 3177-90 (2013)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154722
PNG
(6-(4-Fluoro-phenyl)-7-methyl-3,4-dihydro-2H-[1,4]d...)
Show SMILES Cc1c(-c2ccc(F)cc2)n2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C18H15FN2O/c1-11-14-3-2-4-15-17(14)21(10-9-20-18(15)22)16(11)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,20,22)
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22n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154758
PNG
(6-Phenethyl-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi...)
Show SMILES O=C1NCCn2c(CCc3ccccc3)cc3cccc1c23
Show InChI InChI=1S/C19H18N2O/c22-19-17-8-4-7-15-13-16(21(18(15)17)12-11-20-19)10-9-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,22)
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27n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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28n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154724
PNG
(7-(Hydroxyimino-phenyl-methyl)-3,4-dihydro-2H-[1,4...)
Show SMILES O=NC(c1cn2CCNC(=O)c3cccc1c23)c1ccccc1
Show InChI InChI=1S/C18H15N3O2/c22-18-14-8-4-7-13-15(11-21(17(13)14)10-9-19-18)16(20-23)12-5-2-1-3-6-12/h1-8,11,16H,9-10H2,(H,19,22)
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38n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154755
PNG
(7-{1-[(E)-Hydroxyimino]-ethyl}-3,4-dihydro-2H-[1,4...)
Show SMILES CC(N=O)c1cn2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N3O2/c1-8(15-18)11-7-16-6-5-14-13(17)10-4-2-3-9(11)12(10)16/h2-4,7-8H,5-6H2,1H3,(H,14,17)
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39n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154733
PNG
(7-Methyl-6-phenyl-3,4-dihydro-2H-[1,4]diazepino[6,...)
Show SMILES Cc1c(-c2ccccc2)n2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C18H16N2O/c1-12-14-8-5-9-15-17(14)20(11-10-19-18(15)21)16(12)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,21)
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41n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154746
PNG
(6-(4-Chloro-phenyl)-1-oxo-1,2,3,4-tetrahydro-[1,4]...)
Show SMILES Clc1ccc(cc1)-c1c(C=O)c2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C18H13ClN2O2/c19-12-6-4-11(5-7-12)16-15(10-22)13-2-1-3-14-17(13)21(16)9-8-20-18(14)23/h1-7,10H,8-9H2,(H,20,23)
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
C-X3-C chemokine receptor 1


(Homo sapiens (Human))
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)


Article DOI: 10.1021/jm3012273
BindingDB Entry DOI: 10.7270/Q2ST7R7X
More data for this
Ligand-Target Pair
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