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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'C-C motif chemokine 2' 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-C motif chemokine 2


(Homo sapiens)
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440556
PNG
(CHEMBL2426334)
Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-9-19(28(30,31)32)12-20(10-17)29(33,34)35)8-7-21(14-27)37-23-6-5-18-11-24(39-3)25(40-4)13-22(18)23/h9-13,16,21,23,37H,5-8,14-15H2,1-4H3,(H,36,38)/t21-,23?,27+/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440549
PNG
(CHEMBL2426351)
Show SMILES COc1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(9-8-21(14-26)36-24-7-4-18-12-22(38-3)5-6-23(18)24)25(37)35-15-17-10-19(27(29,30)31)13-20(11-17)28(32,33)34/h5-6,10-13,16,21,24,36H,4,7-9,14-15H2,1-3H3,(H,35,37)/t21-,24?,26+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440557
PNG
(CHEMBL2426335)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc3OCOc3cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H30F6N2O3/c1-15(2)26(25(37)35-13-16-7-18(27(29,30)31)10-19(8-16)28(32,33)34)6-5-20(12-26)36-22-4-3-17-9-23-24(11-21(17)22)39-14-38-23/h7-11,15,20,22,36H,3-6,12-14H2,1-2H3,(H,35,37)/t20-,22?,26+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50257898
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCOCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H30F6N2O2/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440551
PNG
(CHEMBL2426354)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29ClF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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18n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440558
PNG
(CHEMBL2426336)
Show SMILES COc1cccc2C(CCCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H34F6N2O2/c1-17(2)27(26(38)36-16-18-12-19(28(30,31)32)14-20(13-18)29(33,34)35)11-10-21(15-27)37-24-8-4-7-23-22(24)6-5-9-25(23)39-3/h5-6,9,12-14,17,21,24,37H,4,7-8,10-11,15-16H2,1-3H3,(H,36,38)/t21-,24?,27+/m1/s1
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27n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440550
PNG
(CHEMBL2426352)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(O)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-15(2)25(8-7-20(13-25)35-23-6-3-17-11-21(36)4-5-22(17)23)24(37)34-14-16-9-18(26(28,29)30)12-19(10-16)27(31,32)33/h4-5,9-12,15,20,23,35-36H,3,6-8,13-14H2,1-2H3,(H,34,37)/t20-,23?,25+/m1/s1
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29n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50257900
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-isopr...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCSCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H30F6N2OS/c1-14(2)21(6-3-19(12-21)31-18-4-7-33-8-5-18)20(32)30-13-15-9-16(22(24,25)26)11-17(10-15)23(27,28)29/h9-11,14,18-19,31H,3-8,12-13H2,1-2H3,(H,30,32)/t19-,21+/m1/s1
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31n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440545
PNG
(CHEMBL2426345)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N2O/c1-17(2)26(11-10-22(15-26)36-24-9-5-7-19-6-3-4-8-23(19)24)25(37)35-16-18-12-20(27(29,30)31)14-21(13-18)28(32,33)34/h3-4,6,8,12-14,17,22,24,36H,5,7,9-11,15-16H2,1-2H3,(H,35,37)/t22-,24?,26+/m1/s1
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33n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440559
PNG
(CHEMBL2426337)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCc2c(O)cccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N2O2/c1-16(2)26(10-9-20(14-26)36-23-7-3-6-22-21(23)5-4-8-24(22)37)25(38)35-15-17-11-18(27(29,30)31)13-19(12-17)28(32,33)34/h4-5,8,11-13,16,20,23,36-37H,3,6-7,9-10,14-15H2,1-2H3,(H,35,38)/t20-,23?,26+/m1/s1
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35n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440546
PNG
(CHEMBL2426346)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N3O/c1-15(2)25(9-8-19(13-25)36-23-7-6-20-21(23)4-3-5-22(20)34)24(37)35-14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h3-5,10-12,15,19,23,36H,6-9,13-14,34H2,1-2H3,(H,35,37)/t19-,23?,25+/m1/s1
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43n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50257992
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(2,3-...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O/c1-16(2)25(10-9-21(14-25)35-23-8-7-18-5-3-4-6-22(18)23)24(36)34-15-17-11-19(26(28,29)30)13-20(12-17)27(31,32)33/h3-6,11-13,16,21,23,35H,7-10,14-15H2,1-2H3,(H,34,36)/t21-,23?,25+/m1/s1
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50n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440554
PNG
(CHEMBL2426357)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(cc12)C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(8-7-22(13-26)37-24-6-5-19-4-3-17(14-35)11-23(19)24)25(38)36-15-18-9-20(27(29,30)31)12-21(10-18)28(32,33)34/h3-4,9-12,16,22,24,37H,5-8,13,15H2,1-2H3,(H,36,38)/t22-,24?,26+/m1/s1
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54n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440553
PNG
(CHEMBL2426356)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccc(C)cc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1
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55n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440548
PNG
(CHEMBL2426348)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C#N)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H29F6N3O/c1-16(2)26(9-8-21(13-26)37-24-7-6-22-18(14-35)4-3-5-23(22)24)25(38)36-15-17-10-19(27(29,30)31)12-20(11-17)28(32,33)34/h3-5,10-12,16,21,24,37H,6-9,13,15H2,1-2H3,(H,36,38)/t21-,24?,26+/m1/s1
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70n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440547
PNG
(CHEMBL2426347)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2O)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N2O2/c1-15(2)25(9-8-19(13-25)35-22-7-6-21-20(22)4-3-5-23(21)36)24(37)34-14-16-10-17(26(28,29)30)12-18(11-16)27(31,32)33/h3-5,10-12,15,19,22,35-36H,6-9,13-14H2,1-2H3,(H,34,37)/t19-,22?,25+/m1/s1
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86n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50257792
PNG
((1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(cycl...)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCCCC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H32F6N2O/c1-15(2)22(9-8-20(13-22)32-19-6-4-3-5-7-19)21(33)31-14-16-10-17(23(25,26)27)12-18(11-16)24(28,29)30/h10-12,15,19-20,32H,3-9,13-14H2,1-2H3,(H,31,33)/t20-,22+/m1/s1
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110n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440555
PNG
(CHEMBL2426333)
Show SMILES COc1ccc2C(CCc2c1OC)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-11-18(28(30,31)32)13-19(12-17)29(33,34)35)10-9-20(14-27)37-23-7-5-22-21(23)6-8-24(39-3)25(22)40-4/h6,8,11-13,16,20,23,37H,5,7,9-10,14-15H2,1-4H3,(H,36,38)/t20-,23?,27+/m1/s1
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130n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440544
PNG
(CHEMBL2426344)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H32F6N2O/c1-18(2)25(11-10-23(16-25)34-12-6-9-19-7-4-3-5-8-19)24(36)35-17-20-13-21(26(28,29)30)15-22(14-20)27(31,32)33/h3-5,7-8,13-15,18,23,34H,6,9-12,16-17H2,1-2H3,(H,35,36)/t23-,25+/m1/s1
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134n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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289n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440542
PNG
(CHEMBL2426342)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F6N2O/c1-16(2)23(9-8-21(13-23)32-14-17-6-4-3-5-7-17)22(34)33-15-18-10-19(24(26,27)28)12-20(11-18)25(29,30)31/h3-7,10-12,16,21,32H,8-9,13-15H2,1-2H3,(H,33,34)/t21-,23+/m1/s1
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437n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50440543
PNG
(CHEMBL2426343)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F6N2O/c1-17(2)24(10-8-22(15-24)33-11-9-18-6-4-3-5-7-18)23(35)34-16-19-12-20(25(27,28)29)14-21(13-19)26(30,31)32/h3-7,12-14,17,22,33H,8-11,15-16H2,1-2H3,(H,34,35)/t22-,24+/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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n/an/a 2.63E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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n/an/a 6.92E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM14031
PNG
(5-(1,4-diazepane-1-sulfonyl)-1,2-dihydroisoquinoli...)
Show SMILES O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
Show InChI InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
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n/an/a 6.92E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50417674
PNG
(CHEMBL1643361)
Show SMILES Nc1nccc2cc(CNCCc3ccccc3)ccc12
Show InChI InChI=1S/C18H19N3/c19-18-17-7-6-15(12-16(17)9-11-21-18)13-20-10-8-14-4-2-1-3-5-14/h1-7,9,11-12,20H,8,10,13H2,(H2,19,21)
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n/an/a>3.16E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of MCP1-mediated human THP cell migration


Bioorg Med Chem Lett 21: 97-101 (2010)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/an/a 0.720n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of compound by ...


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50017345
PNG
(CHEMBL3288260)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)C([O-])=O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C45H73N3O51S6.9Na/c1-4-5-6-7-83-40-16(46-11(2)49)19(51)27(13(87-40)8-84-101(68,69)70)90-43-25(57)24(56)30(35(96-43)38(61)62)93-42-18(48-100(65,66)67)21(53)29(15(89-42)10-86-103(74,75)76)92-45-34(99-105(80,81)82)26(58)31(36(97-45)39(63)64)94-41-17(47-12(3)50)20(52)28(14(88-41)9-85-102(71,72)73)91-44-33(98-104(77,78)79)23(55)22(54)32(95-44)37(59)60;;;;;;;;;/h13-36,40-45,48,51-58H,4-10H2,1-3H3,(H,46,49)(H,47,50)(H,59,60)(H,61,62)(H,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;;;;;;/q;9*+1/p-9/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35-,36-,40+,41-,42-,43-,44-,45-;;;;;;;;;/m1........./s1
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n/an/an/a 6.10E+4n/an/an/an/an/a



Momenta Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CCL2 by surface plasmon resonance assay


J Med Chem 57: 4511-20 (2014)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/an/a 0.230n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes assessed as association and dissociation of radioligand


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50017346
PNG
(CHEMBL3288258)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C47H75N3O52S6.9Na/c1-5-6-7-8-85-42-18(48-12(2)51)21(54)28(15(89-42)9-86-103(67,68)69)93-46-35(101-107(79,80)81)26(59)31(37(98-46)40(63)64)96-44-20(50-14(4)53)23(56)30(17(91-44)11-88-105(73,74)75)94-47-36(102-108(82,83)84)27(60)32(38(99-47)41(65)66)95-43-19(49-13(3)52)22(55)29(16(90-43)10-87-104(70,71)72)92-45-34(100-106(76,77)78)25(58)24(57)33(97-45)39(61)62;;;;;;;;;/h15-38,42-47,54-60H,5-11H2,1-4H3,(H,48,51)(H,49,52)(H,50,53)(H,61,62)(H,63,64)(H,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84);;;;;;;;;/q;9*+1/p-9/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,42+,43-,44-,45-,46-,47-;;;;;;;;;/m1........./s1
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n/an/an/a 2.50E+8n/an/an/an/an/a



Momenta Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CCL2 by surface plasmon resonance assay


J Med Chem 57: 4511-20 (2014)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50017347
PNG
(CHEMBL3288259)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1NS([O-])(=O)=O
Show InChI InChI=1S/C41H70N4O49S6.9Na/c42-4-2-1-3-5-80-36-12(43-95(62,63)64)15(49)22(9(6-46)81-36)85-40-29(93-99(74,75)76)20(54)25(31(90-40)34(58)59)88-38-14(45-97(68,69)70)17(51)24(11(8-48)83-38)86-41-30(94-100(77,78)79)21(55)26(32(91-41)35(60)61)87-37-13(44-96(65,66)67)16(50)23(10(7-47)82-37)84-39-28(92-98(71,72)73)19(53)18(52)27(89-39)33(56)57;;;;;;;;;/h9-32,36-41,43-55H,1-8,42H2,(H,56,57)(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;;;;/q;9*+1/p-9/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,36+,37-,38-,39-,40-,41-;;;;;;;;;/m1........./s1
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n/an/an/a 2.50E+8n/an/an/an/an/a



Momenta Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CCL2 by surface plasmon resonance assay


J Med Chem 57: 4511-20 (2014)

More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens)
BDBM50331728
PNG
(CHEMBL1289316 | N-(2-((3S,4S)-1-(cis-4-(benzo[d][1...)
Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@](O)(CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H34F3N3O6/c1-2-39-25-16-35(21-8-10-28(38,11-9-21)19-6-7-23-24(13-19)41-17-40-23)15-22(25)34-26(36)14-33-27(37)18-4-3-5-20(12-18)29(30,31)32/h3-7,12-13,21-22,25,38H,2,8-11,14-17H2,1H3,(H,33,37)(H,34,36)/t21-,22-,25-,28-/m0/s1
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n/an/an/a 0.900n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]INCB3344 from human CCR2 receptor expressed in human U2OS cell membranes by saturation binding assay


J Med Chem 56: 7706-14 (2013)

More data for this
Ligand-Target Pair