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Patent code US9663460

Compile Data Set for Download or QSAR

Found 209 hits of Enzyme Inhibition Constant Data   
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 2


(Homo sapiens (Human))
BDBM327284
PNG
(N-{5-chloro-2-[(1H-imidazol-4-ylmethyl)thio]-pheny...)
Show SMILES Clc1ccc(SCc2c[nH]cn2)c(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C18H14ClN3O3S2/c19-13-5-6-17(26-10-14-9-20-11-21-14)15(8-13)22-27(23,24)18-7-12-3-1-2-4-16(12)25-18/h1-9,11,22H,10H2,(H,20,21)
PDB

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n/an/a 10n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327241
PNG
(N-[5-chloro-2-(methylsulfinyl)phenyl]-1-benzofuran...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H12ClNO4S2/c1-22(18)14-7-6-11(16)9-12(14)17-23(19,20)15-8-10-4-2-3-5-13(10)21-15/h2-9,17H,1H3
PDB

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US Patent
n/an/a 11n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327214
PNG
(4-chloro-N-[5-chloro-2-(methylsulfinyl)phenyl]-3-(...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H10Cl2F3NO3S2/c1-24(21)13-5-2-8(15)6-12(13)20-25(22,23)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
PDB

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n/an/a 14n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327296
PNG
(N-(2-{[(6-aminopyridin-2-yl)methyl]sulfonyl}-5-chl...)
Show SMILES Nc1cccc(CS(=O)(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)n1
Show InChI InChI=1S/C20H16ClN3O5S2/c21-14-8-9-18(30(25,26)12-15-5-3-7-19(22)23-15)16(11-14)24-31(27,28)20-10-13-4-1-2-6-17(13)29-20/h1-11,24H,12H2,(H2,22,23)
PDB

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n/an/a 15n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327306
PNG
(N-{5-chloro-2-[(1H-pyrazol-3-ylmethyl)thio]phenyl}...)
Show SMILES Clc1ccc(SCc2cc[nH]n2)c(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C18H14ClN3O3S2/c19-13-5-6-17(26-11-14-7-8-20-21-14)15(10-13)22-27(23,24)18-9-12-3-1-2-4-16(12)25-18/h1-10,22H,11H2,(H,20,21)
PDB

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US Patent
n/an/a 16n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327377
PNG
(N-{5-chloro-2-[(trifluoromethyl)sulfinyl]phenyl}-1...)
Show SMILES FC(F)(F)S(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H9ClF3NO4S2/c16-10-5-6-13(25(21)15(17,18)19)11(8-10)20-26(22,23)14-7-9-3-1-2-4-12(9)24-14/h1-8,20H
PDB

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n/an/a 19n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327325
PNG
(N-{5-chloro-2-[(pyridin-3-ylmethyl)thio]phenyl}-1-...)
Show SMILES Clc1ccc(SCc2cccnc2)c(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C20H15ClN2O3S2/c21-16-7-8-19(27-13-14-4-3-9-22-12-14)17(11-16)23-28(24,25)20-10-15-5-1-2-6-18(15)26-20/h1-12,23H,13H2
PDB

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n/an/a 22n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327385
PNG
(N-{2-[(3-aminobenzyl)sulfonyl]-5-fluorophenyl}-1-b...)
Show SMILES Nc1cccc(CS(=O)(=O)c2ccc(F)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17FN2O5S2/c22-16-8-9-20(30(25,26)13-14-4-3-6-17(23)10-14)18(12-16)24-31(27,28)21-11-15-5-1-2-7-19(15)29-21/h1-12,24H,13,23H2
PDB

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n/an/a 22n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327351
PNG
(N-{2-[(3-aminobenzyl)sulfonyl]-5-chlorophenyl}-1-b...)
Show SMILES Nc1cccc(CS(=O)(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17ClN2O5S2/c22-16-8-9-20(30(25,26)13-14-4-3-6-17(23)10-14)18(12-16)24-31(27,28)21-11-15-5-1-2-7-19(15)29-21/h1-12,24H,13,23H2
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n/an/a 23n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327268
PNG
(4-chloro-N-[5-chloro-2-(methylthio)phenyl]-2-fluor...)
Show SMILES CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1F
Show InChI InChI=1S/C13H10Cl2FNO2S2/c1-20-12-4-2-9(15)7-11(12)17-21(18,19)13-5-3-8(14)6-10(13)16/h2-7,17H,1H3
PDB

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n/an/a 25n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327332
PNG
(N-(2-{[(5-amino-1H-pyrazol-3-yl)methyl]thio}-5-chl...)
Show SMILES Nc1cc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)n[nH]1
Show InChI InChI=1S/C18H15ClN4O3S2/c19-12-5-6-16(27-10-13-9-17(20)22-21-13)14(8-12)23-28(24,25)18-7-11-3-1-2-4-15(11)26-18/h1-9,23H,10H2,(H3,20,21,22)
PDB

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n/an/a 25n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327240
PNG
(N-[5-chloro-2-(methylthio)phenyl]-1-benzofuran-2-s...)
Show SMILES CSc1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H12ClNO3S2/c1-21-14-7-6-11(16)9-12(14)17-22(18,19)15-8-10-4-2-3-5-13(10)20-15/h2-9,17H,1H3
PDB

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n/an/a 26n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327379
PNG
(N-[2-(benzylsulfinyl)-5-chlorophenyl]-1-benzofuran...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)Cc1ccccc1
Show InChI InChI=1S/C21H16ClNO4S2/c22-17-10-11-20(28(24)14-15-6-2-1-3-7-15)18(13-17)23-29(25,26)21-12-16-8-4-5-9-19(16)27-21/h1-13,23H,14H2
PDB

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n/an/a 27n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327295
PNG
(N-(2-{[(6-aminopyridin-2-yl)methyl]sulfinyl}-5-chl...)
Show SMILES Nc1cccc(CS(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)n1
Show InChI InChI=1S/C20H16ClN3O4S2/c21-14-8-9-18(29(25)12-15-5-3-7-19(22)23-15)16(11-14)24-30(26,27)20-10-13-4-1-2-6-17(13)28-20/h1-11,24H,12H2,(H2,22,23)
PDB

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n/an/a 28n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327339
PNG
(N-{5-chloro-2-[(pyridin-2-ylmethyl)sulfonyl]-pheny...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)(=O)Cc1ccccn1
Show InChI InChI=1S/C20H15ClN2O5S2/c21-15-8-9-19(29(24,25)13-16-6-3-4-10-22-16)17(12-15)23-30(26,27)20-11-14-5-1-2-7-18(14)28-20/h1-12,23H,13H2
PDB

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n/an/a 29n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327338
PNG
(N-{5-chloro-2-[(pyridin-2-ylmethyl)sulfinyl]-pheny...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)Cc1ccccn1
Show InChI InChI=1S/C20H15ClN2O4S2/c21-15-8-9-19(28(24)13-16-6-3-4-10-22-16)17(12-15)23-29(25,26)20-11-14-5-1-2-7-18(14)27-20/h1-12,23H,13H2
PDB

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n/an/a 29n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327328
PNG
(N-{5-chloro-2-[(pyridin-3-ylmethyl)sulfonyl]-pheny...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)(=O)Cc1cccnc1
Show InChI InChI=1S/C20H15ClN2O5S2/c21-16-7-8-19(29(24,25)13-14-4-3-9-22-12-14)17(11-16)23-30(26,27)20-10-15-5-1-2-6-18(15)28-20/h1-12,23H,13H2
PDB

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n/an/a 32n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327357
PNG
(N-(2-{[(5-amino-4H-1,2,4-triazol-3-yl)methyl]thio}...)
Show SMILES Nc1nnc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)[nH]1
Show InChI InChI=1S/C17H14ClN5O3S2/c18-11-5-6-14(27-9-15-20-17(19)22-21-15)12(8-11)23-28(24,25)16-7-10-3-1-2-4-13(10)26-16/h1-8,23H,9H2,(H3,19,20,21,22)
PDB

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n/an/a 32n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327294
PNG
(N-(2-{[(6-aminopyridin-2-yl)methyl]thio}-5-chlorop...)
Show SMILES Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)n1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-14-8-9-18(28-12-15-5-3-7-19(22)23-15)16(11-14)24-29(25,26)20-10-13-4-1-2-6-17(13)27-20/h1-11,24H,12H2,(H2,22,23)
PDB

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n/an/a 32n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327380
PNG
(N-[2-(benzylsulfonyl)-5-chlorophenyl]-1-benzofuran...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H16ClNO5S2/c22-17-10-11-20(29(24,25)14-15-6-2-1-3-7-15)18(13-17)23-30(26,27)21-12-16-8-4-5-9-19(16)28-21/h1-13,23H,14H2
PDB

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n/an/a 34n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327324
PNG
(N-{5-chloro-2-[(pyridin-2-ylmethyl)thio]phenyl}-1-...)
Show SMILES Clc1ccc(SCc2ccccn2)c(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C20H15ClN2O3S2/c21-15-8-9-19(27-13-16-6-3-4-10-22-16)17(12-15)23-28(24,25)20-11-14-5-1-2-7-18(14)26-20/h1-12,23H,13H2
PDB

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n/an/a 35n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327383
PNG
(N-{2-[(3-aminobenzyl)sulfinyl]-5-fluorophenyl}-1-b...)
Show SMILES Nc1cccc(CS(=O)c2ccc(F)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17FN2O4S2/c22-16-8-9-20(29(25)13-14-4-3-6-17(23)10-14)18(12-16)24-30(26,27)21-11-15-5-1-2-7-19(15)28-21/h1-12,24H,13,23H2
PDB

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n/an/a 38n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327350
PNG
(N-{2-[(3-aminobenzyl)sulfinyl]-5-chlorophenyl}-1-b...)
Show SMILES Nc1cccc(CS(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17ClN2O4S2/c22-16-8-9-20(29(25)13-14-4-3-6-17(23)10-14)18(12-16)24-30(26,27)21-11-15-5-1-2-7-19(15)28-21/h1-12,24H,13,23H2
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n/an/a 39n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327394
PNG
(N-{2-[(3-aminobenzyl)sulfonyl]phenyl}-1-benzofuran...)
Show SMILES Nc1cccc(CS(=O)(=O)c2ccccc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H18N2O5S2/c22-17-8-5-6-15(12-17)14-29(24,25)20-11-4-2-9-18(20)23-30(26,27)21-13-16-7-1-3-10-19(16)28-21/h1-13,23H,14,22H2
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n/an/a 41n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327320
PNG
(N-(2-{[(2-amino-1,3-thiazol-4-yl)methyl]thio}-5-ch...)
Show SMILES Nc1nc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)cs1
Show InChI InChI=1S/C18H14ClN3O3S3/c19-12-5-6-16(26-9-13-10-27-18(20)21-13)14(8-12)22-28(23,24)17-7-11-3-1-2-4-15(11)25-17/h1-8,10,22H,9H2,(H2,20,21)
PDB

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n/an/a 42n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327242
PNG
(N-[5-chloro-2-(methylsulfonyl)phenyl]-1-benzofuran...)
Show SMILES CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H12ClNO5S2/c1-23(18,19)14-7-6-11(16)9-12(14)17-24(20,21)15-8-10-4-2-3-5-13(10)22-15/h2-9,17H,1H3
PDB

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n/an/a 42n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327349
PNG
(N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-1-benzo...)
Show SMILES Nc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17ClN2O3S2/c22-16-8-9-20(28-13-14-4-3-6-17(23)10-14)18(12-16)24-29(25,26)21-11-15-5-1-2-7-19(15)27-21/h1-12,24H,13,23H2
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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327250
PNG
(4-chloro-N-[5-chloro-2-(methylsulfinyl)phenyl]-3-m...)
Show SMILES Cc1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1S(C)=O
Show InChI InChI=1S/C14H13Cl2NO3S2/c1-9-7-11(4-5-12(9)16)22(19,20)17-13-8-10(15)3-6-14(13)21(2)18/h3-8,17H,1-2H3
PDB

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n/an/a 44n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327232
PNG
(3,4-dichloro-N-[5-chloro-2-(methylsulfinyl)phenyl]...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H10Cl3NO3S2/c1-21(18)13-5-2-8(14)6-12(13)17-22(19,20)9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327421
PNG
(N-[2-(benzylsulfinyl)-5-cyanophenyl]-1-benzofuran-...)
Show SMILES O=S(Cc1ccccc1)c1ccc(cc1NS(=O)(=O)c1cc2ccccc2o1)C#N
Show InChI InChI=1S/C22H16N2O4S2/c23-14-17-10-11-21(29(25)15-16-6-2-1-3-7-16)19(12-17)24-30(26,27)22-13-18-8-4-5-9-20(18)28-22/h1-13,24H,15H2
PDB

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n/an/a 50n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327238
PNG
(4-chloro-N-[5-chloro-2-(ethylsulfinyl)phenyl]-3-(t...)
Show SMILES CCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12Cl2F3NO3S2/c1-2-25(22)14-6-3-9(16)7-13(14)21-26(23,24)10-4-5-12(17)11(8-10)15(18,19)20/h3-8,21H,2H2,1H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327280
PNG
(4-chloro-N-{5-chloro-2-[(1H-imidazol-4-ylmethyl)su...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1S(=O)(=O)Cc1c[nH]cn1
Show InChI InChI=1S/C17H12Cl2F3N3O4S2/c18-10-1-4-16(30(26,27)8-11-7-23-9-24-11)15(5-10)25-31(28,29)12-2-3-14(19)13(6-12)17(20,21)22/h1-7,9,25H,8H2,(H,23,24)
PDB

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n/an/a 51n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327261
PNG
(N-[5-chloro-2-(methylsulfinyl)phenyl]-3-nitro-4-(t...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C14H10ClF3N2O5S2/c1-26(23)13-5-2-8(15)6-11(13)19-27(24,25)9-3-4-10(14(16,17)18)12(7-9)20(21)22/h2-7,19H,1H3
PDB

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n/an/a 54n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327381
PNG
(N-{2-[(3-aminobenzyl)thio]-5-fluorophenyl}-1-benzo...)
Show SMILES Nc1cccc(CSc2ccc(F)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H17FN2O3S2/c22-16-8-9-20(28-13-14-4-3-6-17(23)10-14)18(12-16)24-29(25,26)21-11-15-5-1-2-7-19(15)27-21/h1-12,24H,13,23H2
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327354
PNG
(N-{5-chloro-2-[(3-hydroxybenzyl)sulfonyl]phenyl}-1...)
Show SMILES Oc1cccc(CS(=O)(=O)c2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H16ClNO6S2/c22-16-8-9-20(30(25,26)13-14-4-3-6-17(24)10-14)18(12-16)23-31(27,28)21-11-15-5-1-2-7-19(15)29-21/h1-12,23-24H,13H2
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327422
PNG
(N-[2-(benzylsulfonyl)-5-cyanophenyl]-1-benzofuran-...)
Show SMILES O=S(=O)(Cc1ccccc1)c1ccc(cc1NS(=O)(=O)c1cc2ccccc2o1)C#N
Show InChI InChI=1S/C22H16N2O5S2/c23-14-17-10-11-21(30(25,26)15-16-6-2-1-3-7-16)19(12-17)24-31(27,28)22-13-18-8-4-5-9-20(18)29-22/h1-13,24H,15H2
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327390
PNG
(N-{2-[(3-aminobenzyl)sulfinyl]phenyl}-1-benzofuran...)
Show SMILES Nc1cccc(CS(=O)c2ccccc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H18N2O4S2/c22-17-8-5-6-15(12-17)14-28(24)20-11-4-2-9-18(20)23-29(25,26)21-13-16-7-1-3-10-19(16)27-21/h1-13,23H,14,22H2
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327281
PNG
(N-{5-chloro-2-[(1H-imidazol-2-ylmethyl)thio]-pheny...)
Show SMILES Clc1ccc(SCc2ncc[nH]2)c(NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C18H14ClN3O3S2/c19-13-5-6-16(26-11-17-20-7-8-21-17)14(10-13)22-27(23,24)18-9-12-3-1-2-4-15(12)25-18/h1-10,22H,11H2,(H,20,21)
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327271
PNG
(3-chloro-N-[5-chloro-2-(methylsulfinyl)phenyl]-2-f...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1F
Show InChI InChI=1S/C13H10Cl2FNO3S2/c1-21(18)11-6-5-8(14)7-10(11)17-22(19,20)12-4-2-3-9(15)13(12)16/h2-7,17H,1H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327248
PNG
(4-chloro-N-[5-chloro-2-(methylsulfinyl)phenyl]benz...)
Show SMILES CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11Cl2NO3S2/c1-20(17)13-7-4-10(15)8-12(13)16-21(18,19)11-5-2-9(14)3-6-11/h2-8,16H,1H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327215
PNG
(4-chloro-N-[5-chloro-2-(methylsulfonyl)phenyl]-3-(...)
Show SMILES CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H10Cl2F3NO4S2/c1-25(21,22)13-5-2-8(15)6-12(13)20-26(23,24)9-3-4-11(16)10(7-9)14(17,18)19/h2-7,20H,1H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327278
PNG
(4-chloro-N-{5-chloro-2-[(1H-imidazol-4-ylmethyl)th...)
Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1SCc1c[nH]cn1
Show InChI InChI=1S/C17H12Cl2F3N3O2S2/c18-10-1-4-16(28-8-11-7-23-9-24-11)15(5-10)25-29(26,27)12-2-3-14(19)13(6-12)17(20,21)22/h1-7,9,25H,8H2,(H,23,24)
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327262
PNG
(N-[5-chloro-2-(methylthio)phenyl]-5-methylfuran-2-...)
Show SMILES CSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)o1
Show InChI InChI=1S/C12H12ClNO3S2/c1-8-3-6-12(17-8)19(15,16)14-10-7-9(13)4-5-11(10)18-2/h3-7,14H,1-2H3
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327376
PNG
(N-{5-chloro-2-[(trifluoromethyl)sulfonyl]phenyl}-1...)
Show SMILES FC(F)(F)S(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C15H9ClF3NO5S2/c16-10-5-6-13(26(21,22)15(17,18)19)11(8-10)20-27(23,24)14-7-9-3-1-2-4-12(9)25-14/h1-8,20H
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327399
PNG
(N-{5-chloro-2-[(2-nitrobenzyl)sulfinyl]phenyl}-1-b...)
Show SMILES [O-][N+](=O)c1ccccc1CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C21H15ClN2O6S2/c22-16-9-10-20(31(27)13-15-6-1-3-7-18(15)24(25)26)17(12-16)23-32(28,29)21-11-14-5-2-4-8-19(14)30-21/h1-12,23H,13H2
PDB

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ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327236
PNG
(4-chloro-N-{5-chloro-2-[(3-hydroxycyclopentyl)sulf...)
Show SMILES OC1CCC(C1)S(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H16Cl2F3NO5S2/c19-10-1-6-17(30(26,27)12-3-2-11(25)8-12)16(7-10)24-31(28,29)13-4-5-15(20)14(9-13)18(21,22)23/h1,4-7,9,11-12,24-25H,2-3,8H2
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327289
PNG
(3-({2-[(1-benzofuran-2-ylsulfonyl)amino]-4-chlorop...)
Show SMILES CN(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C19H19ClN2O6S2/c1-22(2)18(23)9-10-29(24,25)17-8-7-14(20)12-15(17)21-30(26,27)19-11-13-5-3-4-6-16(13)28-19/h3-8,11-12,21H,9-10H2,1-2H3
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327326
PNG
(N-{5-chloro-2-[(pyridin-3-ylmethyl)sulfinyl]phenyl...)
Show SMILES Clc1ccc(c(NS(=O)(=O)c2cc3ccccc3o2)c1)S(=O)Cc1cccnc1
Show InChI InChI=1S/C20H15ClN2O4S2/c21-16-7-8-19(28(24)13-14-4-3-9-22-12-14)17(11-16)23-29(25,26)20-10-15-5-1-2-6-18(15)27-20/h1-12,23H,13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327352
PNG
(N-{5-chloro-2-[(3-hydroxybenzyl)thio]phenyl}-1-ben...)
Show SMILES Oc1cccc(CSc2ccc(Cl)cc2NS(=O)(=O)c2cc3ccccc3o2)c1
Show InChI InChI=1S/C21H16ClNO4S2/c22-16-8-9-20(28-13-14-4-3-6-17(24)10-14)18(12-16)23-29(25,26)21-11-15-5-1-2-7-19(15)27-21/h1-12,23-24H,13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 77n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM327374
PNG
(N-(5-chloro-2-{[(2-fluoropyridin-3-yl)methyl]-sulf...)
Show SMILES Fc1ncccc1CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C20H14ClFN2O5S2/c21-15-7-8-18(30(25,26)12-14-5-3-9-23-20(14)22)16(11-15)24-31(27,28)19-10-13-4-1-2-6-17(13)29-19/h1-11,24H,12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
HEK-Gqi5 cells stably expressing CCR2 were cultured in (DMEM high glucose, 10% FBS, 1% PSA, 400 μg/ml geneticin and 50 μg/ml hygromycin. Ap...


US Patent US9663460 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%