Found 76 hits of ic50 for UniProtKB: P51683 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331722
(CHEMBL1290636 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-ph...)Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:3.2,25.26,28.33,wD:7.8,(24.27,-20.7,;23.02,-19.81,;23.17,-18.27,;21.92,-17.37,;20.46,-17.85,;19.55,-16.6,;20.45,-15.36,;21.91,-15.83,;23.25,-15.06,;24.58,-15.83,;24.58,-17.38,;25.92,-15.06,;27.26,-15.83,;28.59,-15.06,;28.59,-13.52,;29.93,-15.83,;31.25,-15.06,;32.59,-15.83,;32.59,-17.38,;31.25,-18.15,;29.93,-17.38,;31.25,-19.69,;29.93,-20.46,;32.59,-20.46,;31.24,-21.22,;18.01,-16.6,;17.24,-17.94,;15.69,-17.94,;14.93,-16.6,;15.7,-15.27,;17.23,-15.28,;13.39,-16.6,;12.62,-15.26,;11.08,-15.26,;10.31,-16.59,;11.08,-17.93,;12.62,-17.93,)| Show InChI InChI=1S/C28H34F3N3O3/c1-2-37-25-18-34(23-13-11-20(12-14-23)19-7-4-3-5-8-19)17-24(25)33-26(35)16-32-27(36)21-9-6-10-22(15-21)28(29,30)31/h3-10,15,20,23-25H,2,11-14,16-18H2,1H3,(H,32,36)(H,33,35)/t20-,23+,24-,25-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331723
(CHEMBL1290637 | N-(2-oxo-2-((3S,4S)-1-(cis-4-pheny...)Show SMILES CCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:4.3,26.27,29.34,wD:8.9,(2.69,-29.05,;2.84,-27.52,;1.59,-26.62,;1.75,-25.09,;.5,-24.19,;-.97,-24.67,;-1.87,-23.42,;-.97,-22.17,;.49,-22.65,;1.82,-21.88,;3.15,-22.65,;3.16,-24.19,;4.49,-21.88,;5.82,-22.65,;7.16,-21.88,;7.16,-20.34,;8.49,-22.65,;9.81,-21.88,;11.15,-22.65,;11.16,-24.2,;9.82,-24.96,;8.49,-24.2,;9.82,-26.5,;8.49,-27.28,;11.15,-27.28,;9.8,-28.04,;-3.41,-23.42,;-4.18,-24.76,;-5.72,-24.76,;-6.49,-23.42,;-5.72,-22.09,;-4.19,-22.09,;-8.02,-23.42,;-8.79,-22.08,;-10.33,-22.07,;-11.1,-23.41,;-10.33,-24.75,;-8.8,-24.75,)| Show InChI InChI=1S/C29H36F3N3O3/c1-2-15-38-26-19-35(24-13-11-21(12-14-24)20-7-4-3-5-8-20)18-25(26)34-27(36)17-33-28(37)22-9-6-10-23(16-22)29(30,31)32/h3-10,16,21,24-26H,2,11-15,17-19H2,1H3,(H,33,37)(H,34,36)/t21-,24+,25-,26-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331727
(CHEMBL1289203 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-hy...)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)c1ccc(C)cc1 |r,wU:3.2,25.26,wD:7.8,28.30,(4.62,-48.68,;3.37,-47.78,;3.52,-46.25,;2.27,-45.35,;.81,-45.83,;-.1,-44.58,;.81,-43.34,;2.26,-43.81,;3.6,-43.04,;4.93,-43.81,;4.93,-45.35,;6.26,-43.04,;7.6,-43.81,;8.93,-43.04,;8.93,-41.5,;10.26,-43.81,;11.59,-43.04,;12.93,-43.81,;12.93,-45.36,;11.6,-46.13,;10.26,-45.36,;11.6,-47.67,;10.26,-48.44,;12.93,-48.44,;11.58,-49.2,;-1.64,-44.58,;-2.41,-45.92,;-3.95,-45.92,;-4.72,-44.58,;-5.13,-43.09,;-3.94,-43.25,;-2.41,-43.25,;-6.25,-44.58,;-7.02,-43.24,;-8.56,-43.24,;-9.33,-44.57,;-10.87,-44.57,;-8.56,-45.91,;-7.02,-45.91,)| Show InChI InChI=1S/C29H36F3N3O4/c1-3-39-25-18-35(23-11-13-28(38,14-12-23)21-9-7-19(2)8-10-21)17-24(25)34-26(36)16-33-27(37)20-5-4-6-22(15-20)29(30,31)32/h4-10,15,23-25,38H,3,11-14,16-18H2,1-2H3,(H,33,37)(H,34,36)/t23-,24-,25-,28-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50337619
(((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxytetrahydr...)Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCN(CC1)c1cc(ccn1)C(F)(F)F |r| Show InChI InChI=1S/C25H37F3N4O3/c1-17(2)24(7-4-19(15-24)30-20-6-13-35-16-21(20)34-3)23(33)32-11-9-31(10-12-32)22-14-18(5-8-29-22)25(26,27)28/h5,8,14,17,19-21,30H,4,6-7,9-13,15-16H2,1-3H3/t19-,20+,21-,24+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CCR2 |
Bioorg Med Chem Lett 21: 1442-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.015
BindingDB Entry DOI: 10.7270/Q22J6C4C |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212146
(1-ethyl-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C30H34F4N2O/c1-3-28(27(37)35-18-21-14-23(30(32,33)34)16-24(31)15-21)10-9-25(17-28)36-13-12-29(20(2)19-36)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50381177
(CHEMBL2018386)Show SMILES CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NCC)C(F)(F)F |r| Show InChI InChI=1S/C28H38F3N5O4/c1-5-7-24(37)23(15-32-14-19-9-8-17(3)12-18(19)4)35-25(38)16-34-26(39)21-13-20(28(29,30)31)10-11-22(21)36-27(40)33-6-2/h8-13,23-24,32,37H,5-7,14-16H2,1-4H3,(H,34,39)(H,35,38)(H2,33,36,40)/t23-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 in mouse monocytes assessed as inhibition of MCP1-induced chemotaxis |
Bioorg Med Chem Lett 22: 3311-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.007
BindingDB Entry DOI: 10.7270/Q2PN96MB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212136
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:13| Show InChI InChI=1S/C31H36F4N2O/c1-20(2)30(28(38)36-18-22-14-24(31(33,34)35)16-25(32)15-22)11-9-26(17-30)37-13-12-29(21(3)19-37)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,36,38)/t21-,26+,29+,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212128
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CC(C)C[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:14| Show InChI InChI=1S/C32H38F4N2O/c1-21(2)17-30(29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23)10-9-27(18-30)38-13-12-31(22(3)20-38)11-8-24-6-4-5-7-28(24)31/h4-8,11,14-16,21-22,27H,9-10,12-13,17-20H2,1-3H3,(H,37,39)/t22-,27+,30+,31+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331728
(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 |r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212127
((1S,3R)-1-cyclopropyl-N-{[3-fluoro-5-(trifluoromet...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@](C1)(C1CC1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:8| Show InChI InChI=1S/C31H34F4N2O/c1-20-19-37(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(38)36-18-21-14-24(31(33,34)35)16-25(32)15-21/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,36,38)/t20-,26+,29+,30-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331728
(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 |r,wU:25.26,3.2,wD:7.8,28.30,(30.12,-51.02,;28.87,-50.12,;29.03,-48.59,;27.78,-47.69,;26.31,-48.17,;25.41,-46.92,;26.31,-45.68,;27.77,-46.15,;29.1,-45.38,;30.43,-46.15,;30.43,-47.69,;31.77,-45.38,;33.1,-46.15,;34.43,-45.38,;34.43,-43.84,;35.77,-46.15,;37.1,-45.38,;38.43,-46.15,;38.44,-47.7,;37.1,-48.47,;35.77,-47.7,;37.1,-50.01,;35.77,-50.78,;38.43,-50.78,;37.08,-51.54,;23.87,-46.93,;23.1,-48.26,;21.55,-48.26,;20.78,-46.92,;20.38,-45.43,;21.56,-45.59,;23.09,-45.59,;19.25,-46.92,;18.48,-48.25,;16.95,-48.25,;16.17,-46.91,;14.67,-46.59,;14.51,-45.06,;15.92,-44.44,;16.94,-45.58,;18.48,-45.58,)| 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 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331726
(CHEMBL1289083 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-hy...)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)c1ccccc1 |r,wU:3.2,25.26,wD:7.8,28.30,(29.02,-41.06,;27.77,-40.16,;27.93,-38.63,;26.68,-37.73,;25.22,-38.21,;24.31,-36.96,;25.21,-35.71,;26.67,-36.19,;28,-35.42,;29.34,-36.19,;29.34,-37.73,;30.67,-35.42,;32,-36.19,;33.34,-35.42,;33.34,-33.88,;34.67,-36.19,;36,-35.42,;37.33,-36.18,;37.34,-37.73,;36,-38.51,;34.67,-37.73,;36,-40.05,;34.67,-40.81,;37.34,-40.82,;35.99,-41.58,;22.77,-36.96,;22,-38.3,;20.46,-38.3,;19.69,-36.96,;19.28,-35.47,;20.46,-35.63,;22,-35.63,;18.15,-36.96,;17.39,-35.62,;15.85,-35.61,;15.07,-36.95,;15.85,-38.29,;17.39,-38.29,)| Show InChI InChI=1S/C28H34F3N3O4/c1-2-38-24-18-34(22-11-13-27(37,14-12-22)20-8-4-3-5-9-20)17-23(24)33-25(35)16-32-26(36)19-7-6-10-21(15-19)28(29,30)31/h3-10,15,22-24,37H,2,11-14,16-18H2,1H3,(H,32,36)(H,33,35)/t22-,23-,24-,27-/m0/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331727
(CHEMBL1289203 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-hy...)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)c1ccc(C)cc1 |r,wU:3.2,25.26,wD:7.8,28.30,(4.62,-48.68,;3.37,-47.78,;3.52,-46.25,;2.27,-45.35,;.81,-45.83,;-.1,-44.58,;.81,-43.34,;2.26,-43.81,;3.6,-43.04,;4.93,-43.81,;4.93,-45.35,;6.26,-43.04,;7.6,-43.81,;8.93,-43.04,;8.93,-41.5,;10.26,-43.81,;11.59,-43.04,;12.93,-43.81,;12.93,-45.36,;11.6,-46.13,;10.26,-45.36,;11.6,-47.67,;10.26,-48.44,;12.93,-48.44,;11.58,-49.2,;-1.64,-44.58,;-2.41,-45.92,;-3.95,-45.92,;-4.72,-44.58,;-5.13,-43.09,;-3.94,-43.25,;-2.41,-43.25,;-6.25,-44.58,;-7.02,-43.24,;-8.56,-43.24,;-9.33,-44.57,;-10.87,-44.57,;-8.56,-45.91,;-7.02,-45.91,)| Show InChI InChI=1S/C29H36F3N3O4/c1-3-39-25-18-35(23-11-13-28(38,14-12-23)21-9-7-19(2)8-10-21)17-24(25)34-26(36)16-33-27(37)20-5-4-6-22(15-20)29(30,31)32/h4-10,15,23-25,38H,3,11-14,16-18H2,1-2H3,(H,33,37)(H,34,36)/t23-,24-,25-,28-/m0/s1 | Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331722
(CHEMBL1290636 | N-(2-((3S,4S)-4-ethoxy-1-(cis-4-ph...)Show SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:3.2,25.26,28.33,wD:7.8,(24.27,-20.7,;23.02,-19.81,;23.17,-18.27,;21.92,-17.37,;20.46,-17.85,;19.55,-16.6,;20.45,-15.36,;21.91,-15.83,;23.25,-15.06,;24.58,-15.83,;24.58,-17.38,;25.92,-15.06,;27.26,-15.83,;28.59,-15.06,;28.59,-13.52,;29.93,-15.83,;31.25,-15.06,;32.59,-15.83,;32.59,-17.38,;31.25,-18.15,;29.93,-17.38,;31.25,-19.69,;29.93,-20.46,;32.59,-20.46,;31.24,-21.22,;18.01,-16.6,;17.24,-17.94,;15.69,-17.94,;14.93,-16.6,;15.7,-15.27,;17.23,-15.28,;13.39,-16.6,;12.62,-15.26,;11.08,-15.26,;10.31,-16.59,;11.08,-17.93,;12.62,-17.93,)| Show InChI InChI=1S/C28H34F3N3O3/c1-2-37-25-18-34(23-13-11-20(12-14-23)19-7-4-3-5-8-19)17-24(25)33-26(35)16-32-27(36)21-9-6-10-22(15-21)28(29,30)31/h3-10,15,20,23-25H,2,11-14,16-18H2,1H3,(H,32,36)(H,33,35)/t20-,23+,24-,25-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212145
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-20(2)30(28(41)39-18-22-14-24(31(33,34)35)16-25(15-22)32(36,37)38)11-9-26(17-30)40-13-12-29(21(3)19-40)10-8-23-6-4-5-7-27(23)29/h4-8,10,14-16,20-21,26H,9,11-13,17-19H2,1-3H3,(H,39,41)/t21-,26+,29+,30-/m0/s1 | Reactome pathway
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UniChem
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212131
(1-(cyclopropylmethyl)-N-{[3-fluoro-5-(trifluoromet...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C32H36F4N2O/c1-21-20-38(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(39)37-19-23-14-25(32(34,35)36)16-26(33)15-23/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,37,39)/t21-,27?,30?,31+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50382932
(CHEMBL2029422)Show SMILES O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)| Show InChI InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1 | Reactome pathway
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 |
ACS Med Chem Lett 2: 913-918 (2011)
Article DOI: 10.1021/ml200199c
BindingDB Entry DOI: 10.7270/Q29024TK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212122
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CSC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:13| Show InChI InChI=1S/C30H34F4N2OS/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25+,28-,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212134
(CHEMBL231038 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H36F4N2O/c1-3-10-29(28(38)36-19-22-15-24(31(33,34)35)17-25(32)16-22)11-9-26(18-29)37-14-13-30(21(2)20-37)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,36,38)/t21-,26?,29?,30+/m0/s1 | Reactome pathway
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PC cid
PC sid
UniChem
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50382932
(CHEMBL2029422)Show SMILES O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:8.8,1.0,(25.05,5.32,;26.39,4.55,;27.72,3.79,;29.05,4.55,;29.05,6.09,;27.72,6.87,;26.39,6.09,;30.38,6.86,;31.72,6.08,;31.73,4.55,;33.2,4.09,;34.1,5.35,;33.17,6.58,;35.42,6.13,;35.41,7.67,;36.76,5.37,;38.09,6.15,;39.43,5.39,;39.44,3.85,;40.76,6.17,;40.74,7.71,;42.06,8.48,;43.41,7.73,;43.42,6.18,;42.09,5.4,;44.76,5.41,;44.77,3.87,;46.09,6.19,;46,4.52,;25.06,3.78,;23.72,4.55,;22.39,3.78,;22.39,2.24,;23.74,1.47,;25.06,2.24,;21.06,1.46,;19.73,2.22,;18.4,1.45,;18.4,-.09,;19.75,-.86,;21.07,-.08,)| Show InChI InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22-,23-,28-/m0/s1 | Reactome pathway
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to mouse CCR2 |
ACS Med Chem Lett 2: 913-918 (2011)
Article DOI: 10.1021/ml200199c
BindingDB Entry DOI: 10.7270/Q29024TK |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212126
(CHEMBL388007 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:5.7,2.1,c:12| Show InChI InChI=1S/C31H34F6N2O/c1-3-28(27(40)38-18-21-14-23(30(32,33)34)16-24(15-21)31(35,36)37)10-9-25(17-28)39-13-12-29(20(2)19-39)11-8-22-6-4-5-7-26(22)29/h4-8,11,14-16,20,25H,3,9-10,12-13,17-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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PC cid
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UniChem
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PubMed
| n/a | n/a | 17.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50363942
(CHEMBL1951766)Show SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-10.43,2.36,;-8.89,2.39,;-8.15,3.74,;-6.61,3.78,;-5.81,2.46,;-6.55,1.1,;-8.1,1.07,;-4.27,2.5,;-5.05,3.84,;-3.46,1.18,;-1.93,1.21,;-1.18,2.56,;-1.98,3.88,;-3.53,3.85,;.36,2.59,;1.28,1.37,;2.73,1.87,;2.7,3.41,;1.23,3.86,;4.03,4.2,;5.37,3.45,;5.39,1.91,;6.7,4.23,;8.04,3.48,;9.36,4.27,;9.34,5.81,;10.71,3.51,;10.72,1.97,;12.06,1.22,;13.38,2.01,;13.36,3.55,;12.02,4.3,;14.68,4.35,;16.03,3.6,;14.66,5.89,;16.01,5.13,)| Show InChI InChI=1S/C27H32F3N3O3/c1-18-5-7-20(8-6-18)26(36)12-9-23(10-13-26)33-14-11-22(17-33)32-24(34)16-31-25(35)19-3-2-4-21(15-19)27(28,29)30/h2-8,15,22-23,36H,9-14,16-17H2,1H3,(H,31,35)(H,32,34)/t22-,23-,26-/m1/s1 | Reactome pathway
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
ACS Med Chem Lett 2: 450-454 (2011)
Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212139
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CC(C)C[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:14| Show InChI InChI=1S/C33H38F6N2O/c1-21(2)17-30(29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39)10-9-27(18-30)41-13-12-31(22(3)20-41)11-8-24-6-4-5-7-28(24)31/h4-8,11,14-16,21-22,27H,9-10,12-13,17-20H2,1-3H3,(H,40,42)/t22-,27+,30+,31+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212138
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CCC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C32H36F6N2O/c1-3-10-29(28(41)39-19-22-15-24(31(33,34)35)17-25(16-22)32(36,37)38)11-9-26(18-29)40-14-13-30(21(2)20-40)12-8-23-6-4-5-7-27(23)30/h4-8,12,15-17,21,26H,3,9-11,13-14,18-20H2,1-2H3,(H,39,41)/t21-,26+,29-,30+/m0/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 44.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212135
(CHEMBL266017 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(C1)(C1CC1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:18.27,15.17,c:8| Show InChI InChI=1S/C32H34F6N2O/c1-20-19-40(13-12-29(20)10-8-22-4-2-3-5-27(22)29)26-9-11-30(17-26,23-6-7-23)28(41)39-18-21-14-24(31(33,34)35)16-25(15-21)32(36,37)38/h2-5,8,10,14-16,20,23,26H,6-7,9,11-13,17-19H2,1H3,(H,39,41)/t20-,26?,29+,30?/m0/s1 | Reactome pathway
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UniChem
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50578294
(Bms 813160 | Bms-813160)Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C | Reactome pathway
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| Article
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of [125I]-CCL2 from mouse CCR2 |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331725
(CHEMBL1288324 | N-(2-((3S,4S)-4-(benzyloxy)-1-(cis...)Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@H]1CN(C[C@@H]1OCc1ccccc1)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:30.32,33.39,21.23,wD:17.17,(9.66,-37.87,;10.99,-37.1,;12.32,-37.87,;10.97,-38.64,;10.99,-35.56,;12.33,-34.78,;12.32,-33.23,;10.98,-32.47,;9.66,-33.24,;9.66,-34.78,;8.32,-32.47,;8.32,-30.93,;6.99,-33.24,;5.65,-32.47,;4.32,-33.24,;4.32,-34.78,;2.98,-32.47,;1.65,-33.24,;.19,-32.76,;-.71,-34.01,;.19,-35.26,;1.66,-34.78,;2.91,-35.68,;2.76,-37.21,;4.01,-38.12,;3.85,-39.65,;5.1,-40.55,;6.5,-39.92,;6.66,-38.38,;5.41,-37.48,;-2.25,-34.02,;-3.02,-35.36,;-4.57,-35.35,;-5.33,-34.01,;-4.56,-32.68,;-3.03,-32.68,;-6.87,-34.01,;-7.64,-32.67,;-9.18,-32.67,;-9.95,-34,;-9.18,-35.34,;-7.64,-35.34,)| Show InChI InChI=1S/C33H36F3N3O3/c34-33(35,36)27-13-7-12-26(18-27)32(41)37-19-31(40)38-29-20-39(21-30(29)42-22-23-8-3-1-4-9-23)28-16-14-25(15-17-28)24-10-5-2-6-11-24/h1-13,18,25,28-30H,14-17,19-22H2,(H,37,41)(H,38,40)/t25-,28+,29-,30-/m0/s1 | Reactome pathway
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331724
(CHEMBL1290754 | N-(2-((3S,4S)-4-butoxy-1-(cis-4-ph...)Show SMILES CCCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:5.4,27.28,30.35,wD:9.10,(29.88,-31.47,;28.63,-30.57,;28.78,-29.04,;27.53,-28.14,;27.68,-26.61,;26.43,-25.71,;24.97,-26.19,;24.06,-24.94,;24.96,-23.69,;26.42,-24.17,;27.75,-23.4,;29.09,-24.17,;29.09,-25.71,;30.42,-23.4,;31.76,-24.17,;33.09,-23.4,;33.09,-21.86,;34.43,-24.17,;35.75,-23.4,;37.09,-24.16,;37.09,-25.71,;35.76,-26.49,;34.43,-25.71,;35.76,-28.03,;34.43,-28.79,;37.09,-28.79,;35.74,-29.56,;22.52,-24.94,;21.75,-26.28,;20.21,-26.28,;19.44,-24.94,;20.21,-23.61,;21.75,-23.61,;17.91,-24.94,;17.14,-23.6,;15.6,-23.6,;14.83,-24.93,;15.6,-26.27,;17.13,-26.27,)| Show InChI InChI=1S/C30H38F3N3O3/c1-2-3-16-39-27-20-36(25-14-12-22(13-15-25)21-8-5-4-6-9-21)19-26(27)35-28(37)18-34-29(38)23-10-7-11-24(17-23)30(31,32)33/h4-11,17,22,25-27H,2-3,12-16,18-20H2,1H3,(H,34,38)(H,35,37)/t22-,25+,26-,27-/m0/s1 | Reactome pathway
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212140
((1S,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:8| Show InChI InChI=1S/C29H32F4N2O/c1-19-18-35(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27-,28+/m0/s1 | Reactome pathway
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212142
(CHEMBL230078 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H36F6N2O/c1-21-20-41(13-12-31(21)11-8-24-4-2-3-5-28(24)31)27-9-10-30(18-27,17-22-6-7-22)29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39/h2-5,8,11,14-16,21-22,27H,6-7,9-10,12-13,17-20H2,1H3,(H,40,42)/t21-,27?,30?,31+/m0/s1 | Reactome pathway
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| n/a | n/a | 63.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212124
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](CC2CCC2)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C34H38F6N2O/c1-22-21-42(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(43)41-20-24-15-26(33(35,36)37)17-27(16-24)34(38,39)40/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,41,43)/t22-,28+,31+,32+/m0/s1 | Reactome pathway
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212130
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CSC[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:13| Show InChI InChI=1S/C31H34F6N2OS/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25+,28-,29+/m0/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 65.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212125
(CHEMBL389610 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C30H34F4N2O2/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198119
(CHEMBL231340 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C37H35F6N5O2S/c1-23-21-48(15-12-35(23)11-9-25-6-2-3-8-30(25)35)14-10-29(31-22-51-34(46-31)47-32(49)19-28-7-4-5-13-44-28)33(50)45-20-24-16-26(36(38,39)40)18-27(17-24)37(41,42)43/h2-9,11,13,16-18,22-23,29H,10,12,14-15,19-21H2,1H3,(H,45,50)(H,46,47,49)/t23-,29?,35+/m0/s1 | Reactome pathway
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198134
(CHEMBL395289 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H34F6N4O2S2/c1-22-20-46(13-11-34(22)10-8-24-5-2-3-7-29(24)34)12-9-28(30-21-50-33(44-30)45-31(47)18-27-6-4-14-49-27)32(48)43-19-23-15-25(35(37,38)39)17-26(16-23)36(40,41)42/h2-8,10,14-17,21-22,28H,9,11-13,18-20H2,1H3,(H,43,48)(H,44,45,47)/t22-,28?,34+/m0/s1 | Reactome pathway
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212144
(CHEMBL230831 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES COCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:6.8,3.2,c:13| Show InChI InChI=1S/C31H34F6N2O2/c1-20-18-39(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-41-2)27(40)38-17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,38,40)/t20-,25?,28?,29+/m0/s1 | Reactome pathway
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| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198139
(CHEMBL397717 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)C3Cc4ccccc34)n2)CC[C@]11C=Cc2ccccc12 |w:32.32,6.5,c:49| Show InChI InChI=1S/C39H36F6N4O2S/c1-23-21-49(15-13-37(23)12-10-25-6-3-5-9-32(25)37)14-11-30(33-22-52-36(47-33)48-35(51)31-18-26-7-2-4-8-29(26)31)34(50)46-20-24-16-27(38(40,41)42)19-28(17-24)39(43,44)45/h2-10,12,16-17,19,22-23,30-31H,11,13-15,18,20-21H2,1H3,(H,46,50)(H,47,48,51)/t23-,30?,31?,37+/m0/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212141
((1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28+/m0/s1 | Reactome pathway
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| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212123
(CHEMBL231143 | N-{[3-fluoro-5-(trifluoromethyl)phe...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C34H42F4N2O/c1-3-4-5-8-13-32(31(41)39-22-25-18-27(34(36,37)38)20-28(35)19-25)14-12-29(21-32)40-17-16-33(24(2)23-40)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,39,41)/t24-,29?,32?,33+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50211499
((1S,3R)-N-[3,5-bis(trifluoromethyl)benzyl]-1-methy...)Show SMILES C[C@H]1CN(CC[C@@]11C=Cc2ccccc12)[C@@H]1CC[C@@](C)(C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:8| Show InChI InChI=1S/C30H32F6N2O/c1-19-18-38(12-11-28(19)10-7-21-5-3-4-6-25(21)28)24-8-9-27(2,16-24)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,10,13-15,19,24H,8-9,11-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27-,28-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125]hMCP1 from mouse CCR2 receptor expressed in CHO cells |
J Med Chem 50: 2609-11 (2007)
Article DOI: 10.1021/jm070166b
BindingDB Entry DOI: 10.7270/Q2WW7HCF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212129
(1-(cyclobutylmethyl)-N-{[3-fluoro-5-(trifluorometh...)Show SMILES C[C@H]1CN(CC[C@]11C=Cc2ccccc12)C1CCC(CC2CCC2)(C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |w:15.17,18.21,c:8| Show InChI InChI=1S/C33H38F4N2O/c1-22-21-39(14-13-32(22)12-9-25-7-2-3-8-29(25)32)28-10-11-31(19-28,18-23-5-4-6-23)30(40)38-20-24-15-26(33(35,36)37)17-27(34)16-24/h2-3,7-9,12,15-17,22-23,28H,4-6,10-11,13-14,18-21H2,1H3,(H,38,40)/t22-,28?,31?,32+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50363942
(CHEMBL1951766)Show SMILES Cc1ccc(cc1)[C@]1(O)CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:11.15,wD:17.21,7.8,(-10.43,2.36,;-8.89,2.39,;-8.15,3.74,;-6.61,3.78,;-5.81,2.46,;-6.55,1.1,;-8.1,1.07,;-4.27,2.5,;-5.05,3.84,;-3.46,1.18,;-1.93,1.21,;-1.18,2.56,;-1.98,3.88,;-3.53,3.85,;.36,2.59,;1.28,1.37,;2.73,1.87,;2.7,3.41,;1.23,3.86,;4.03,4.2,;5.37,3.45,;5.39,1.91,;6.7,4.23,;8.04,3.48,;9.36,4.27,;9.34,5.81,;10.71,3.51,;10.72,1.97,;12.06,1.22,;13.38,2.01,;13.36,3.55,;12.02,4.3,;14.68,4.35,;16.03,3.6,;14.66,5.89,;16.01,5.13,)| Show InChI InChI=1S/C27H32F3N3O3/c1-18-5-7-20(8-6-18)26(36)12-9-23(10-13-26)33-14-11-22(17-33)32-24(34)16-31-25(35)19-3-2-4-21(15-19)27(28,29)30/h2-8,15,22-23,36H,9-14,16-17H2,1H3,(H,31,35)(H,32,34)/t22-,23-,26-/m1/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 assessed as inhibition of MCP1-induced chemotaxis after 30 mins |
ACS Med Chem Lett 2: 450-454 (2011)
Article DOI: 10.1021/ml200030q
BindingDB Entry DOI: 10.7270/Q2WD4116 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331723
(CHEMBL1290637 | N-(2-oxo-2-((3S,4S)-1-(cis-4-pheny...)Show SMILES CCCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:4.3,26.27,29.34,wD:8.9,(2.69,-29.05,;2.84,-27.52,;1.59,-26.62,;1.75,-25.09,;.5,-24.19,;-.97,-24.67,;-1.87,-23.42,;-.97,-22.17,;.49,-22.65,;1.82,-21.88,;3.15,-22.65,;3.16,-24.19,;4.49,-21.88,;5.82,-22.65,;7.16,-21.88,;7.16,-20.34,;8.49,-22.65,;9.81,-21.88,;11.15,-22.65,;11.16,-24.2,;9.82,-24.96,;8.49,-24.2,;9.82,-26.5,;8.49,-27.28,;11.15,-27.28,;9.8,-28.04,;-3.41,-23.42,;-4.18,-24.76,;-5.72,-24.76,;-6.49,-23.42,;-5.72,-22.09,;-4.19,-22.09,;-8.02,-23.42,;-8.79,-22.08,;-10.33,-22.07,;-11.1,-23.41,;-10.33,-24.75,;-8.8,-24.75,)| Show InChI InChI=1S/C29H36F3N3O3/c1-2-15-38-26-19-35(24-13-11-21(12-14-24)20-7-4-3-5-8-20)18-25(26)34-27(36)17-33-28(37)22-9-6-10-23(16-22)29(30,31)32/h3-10,16,21,24-26H,2,11-15,17-19H2,1H3,(H,33,37)(H,34,36)/t21-,24+,25-,26-/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198116
(CHEMBL438128 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:47| Show InChI InChI=1S/C38H36F6N4O2S/c1-24-22-48(16-14-36(24)13-11-27-9-5-6-10-31(27)36)15-12-30(32-23-51-35(46-32)47-33(49)19-25-7-3-2-4-8-25)34(50)45-21-26-17-28(37(39,40)41)20-29(18-26)38(42,43)44/h2-11,13,17-18,20,23-24,30H,12,14-16,19,21-22H2,1H3,(H,45,50)(H,46,47,49)/t24-,30?,36+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50198111
(CHEMBL231149 | N-{4-[1-({[3,5-bis(trifluoromethyl)...)Show SMILES C[C@H]1CN(CCC(C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2csc(NC(=O)c3cccnc3)n2)CC[C@]11C=Cc2ccccc12 |w:6.5,c:46| Show InChI InChI=1S/C36H33F6N5O2S/c1-22-20-47(14-11-34(22)10-8-24-5-2-3-7-29(24)34)13-9-28(30-21-50-33(45-30)46-31(48)25-6-4-12-43-19-25)32(49)44-18-23-15-26(35(37,38)39)17-27(16-23)36(40,41)42/h2-8,10,12,15-17,19,21-22,28H,9,11,13-14,18,20H2,1H3,(H,44,49)(H,45,46,48)/t22-,28?,34+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 expressed in monocytes |
Bioorg Med Chem Lett 17: 309-14 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.059
BindingDB Entry DOI: 10.7270/Q25B0247 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331715
(CHEMBL1290412 | N-(2-((3S,4S)-4-hydroxy-1-(cis-4-p...)Show SMILES O[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:1.0,23.24,26.31,wD:5.6,(-2.46,-10.74,;-3.71,-9.84,;-5.17,-10.31,;-6.08,-9.07,;-5.18,-7.82,;-3.72,-8.3,;-2.39,-7.53,;-1.05,-8.3,;-1.05,-9.84,;.28,-7.53,;1.62,-8.3,;2.95,-7.53,;2.95,-5.99,;4.28,-8.3,;5.61,-7.53,;6.95,-8.29,;6.95,-9.84,;5.62,-10.61,;4.28,-9.84,;5.61,-12.15,;4.28,-12.92,;6.95,-12.92,;5.6,-13.69,;-7.62,-9.07,;-8.39,-10.41,;-9.93,-10.41,;-10.7,-9.07,;-9.93,-7.74,;-8.39,-7.74,;-12.25,-9.07,;-13.01,-7.73,;-14.55,-7.72,;-15.32,-9.06,;-14.55,-10.4,;-13.01,-10.39,)| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)20-8-4-7-19(13-20)25(35)30-14-24(34)31-22-15-32(16-23(22)33)21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-8,13,18,21-23,33H,9-12,14-16H2,(H,30,35)(H,31,34)/t18-,21+,22-,23-/m0/s1 | Reactome pathway
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PC cid
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UniChem
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PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 after 30 mins by gamma counter |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212143
((1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]met...)Show SMILES CS[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |c:12| Show InChI InChI=1S/C29H32F4N2OS/c1-19-18-35(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,37-2)26(36)34-17-20-13-22(29(31,32)33)15-23(30)14-20/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,34,36)/t19-,24+,27+,28+/m0/s1 | Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50331715
(CHEMBL1290412 | N-(2-((3S,4S)-4-hydroxy-1-(cis-4-p...)Show SMILES O[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:1.0,23.24,26.31,wD:5.6,(-2.46,-10.74,;-3.71,-9.84,;-5.17,-10.31,;-6.08,-9.07,;-5.18,-7.82,;-3.72,-8.3,;-2.39,-7.53,;-1.05,-8.3,;-1.05,-9.84,;.28,-7.53,;1.62,-8.3,;2.95,-7.53,;2.95,-5.99,;4.28,-8.3,;5.61,-7.53,;6.95,-8.29,;6.95,-9.84,;5.62,-10.61,;4.28,-9.84,;5.61,-12.15,;4.28,-12.92,;6.95,-12.92,;5.6,-13.69,;-7.62,-9.07,;-8.39,-10.41,;-9.93,-10.41,;-10.7,-9.07,;-9.93,-7.74,;-8.39,-7.74,;-12.25,-9.07,;-13.01,-7.73,;-14.55,-7.72,;-15.32,-9.06,;-14.55,-10.4,;-13.01,-10.39,)| Show InChI InChI=1S/C26H30F3N3O3/c27-26(28,29)20-8-4-7-19(13-20)25(35)30-14-24(34)31-22-15-32(16-23(22)33)21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-8,13,18,21-23,33H,9-12,14-16H2,(H,30,35)(H,31,34)/t18-,21+,22-,23-/m0/s1 | Reactome pathway
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PC cid
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UniChem
Similars
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PubMed
| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Incyte Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at mouse CCR2 assessed as inhibition of MCP1 induced chemotaxis after 30 mins |
Bioorg Med Chem Lett 20: 7473-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.020
BindingDB Entry DOI: 10.7270/Q2TQ61S9 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212133
(CHEMBL398001 | N-{[3,5-bis(trifluoromethyl)phenyl]...)Show SMILES CCCCCCC1(CCC(C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:9.11,6.5,c:16| Show InChI InChI=1S/C35H42F6N2O/c1-3-4-5-8-13-32(31(44)42-22-25-18-27(34(36,37)38)20-28(19-25)35(39,40)41)14-12-29(21-32)43-17-16-33(24(2)23-43)15-11-26-9-6-7-10-30(26)33/h6-7,9-11,15,18-20,24,29H,3-5,8,12-14,16-17,21-23H2,1-2H3,(H,42,44)/t24-,29?,32?,33+/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 279 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Mus musculus) | BDBM50212137
((1R,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}...)Show SMILES CS[C@@]1(CC[C@H](C1)N1CC[C@]2(C=Cc3ccccc23)[C@@H](C)C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:12| Show InChI InChI=1S/C30H32F6N2OS/c1-19-18-38(12-11-27(19)9-7-21-5-3-4-6-25(21)27)24-8-10-28(16-24,40-2)26(39)37-17-20-13-22(29(31,32)33)15-23(14-20)30(34,35)36/h3-7,9,13-15,19,24H,8,10-12,16-18H2,1-2H3,(H,37,39)/t19-,24+,27+,28+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]MCP1 from mouse CCR2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 3636-41 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.053
BindingDB Entry DOI: 10.7270/Q23J3CN8 |
More data for this
Ligand-Target Pair | |
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