Found 49 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359139
(CHEMBL1922823)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+ | PDB
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 by chemotaxis functional assay |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224511
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)Show SMILES OC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24| Show InChI InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+ | PDB
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| CHEMBL
PC cid
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| Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359139
(CHEMBL1922823)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+ | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR2 by calcium mobilization assay |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359139
(CHEMBL1922823)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+ | PDB
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359139
(CHEMBL1922823)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+ | PDB
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PC cid
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359127
(CHEMBL1922789)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(36.32,-23.17,;37.65,-23.94,;38.99,-23.18,;37.65,-25.48,;36.31,-26.25,;36.31,-27.79,;34.97,-28.55,;34.97,-30.09,;36.3,-30.86,;37.64,-30.09,;37.64,-28.55,;36.29,-32.4,;35.05,-33.31,;35.53,-34.78,;37.07,-34.77,;38.09,-35.91,;39.6,-35.59,;40.07,-34.11,;39.04,-32.98,;37.54,-33.3,;38.98,-26.26,;38.97,-27.8,;40.29,-28.57,;41.63,-27.81,;41.64,-26.27,;40.31,-25.49,;42.96,-28.59,;42.95,-30.13,;44.3,-27.83,;45.63,-28.61,;46.96,-27.85,;46.97,-26.32,;48.3,-25.55,;48.3,-24.01,;49.64,-26.33,;50.97,-25.57,;49.62,-27.87,;50.95,-28.65,;48.29,-28.63,)| Show InChI InChI=1S/C30H33F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,35-36H,6-9,11-14H2,(H2,34,39)/b10-5+ | PDB
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PC cid
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359119
(CHEMBL1922797)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1 |w:28.31,(-7.99,-10.33,;-6.66,-11.1,;-5.32,-10.34,;-6.66,-12.64,;-8,-13.41,;-8,-14.95,;-9.34,-15.71,;-9.34,-17.24,;-8.01,-18.02,;-6.67,-17.25,;-6.67,-15.71,;-8.02,-19.56,;-9.26,-20.47,;-8.78,-21.93,;-7.24,-21.92,;-6.22,-23.06,;-4.71,-22.74,;-4.24,-21.27,;-5.27,-20.14,;-6.77,-20.46,;-5.33,-13.42,;-5.34,-14.96,;-4.02,-15.73,;-2.68,-14.97,;-2.67,-13.43,;-4,-12.65,;-1.35,-15.75,;-1.36,-17.29,;-.01,-14.99,;1.32,-15.77,;2.65,-15.01,;2.66,-13.48,;3.99,-12.71,;3.99,-11.17,;5.33,-13.49,;6.66,-12.73,;5.31,-15.03,;6.64,-15.81,;3.98,-15.79,)| Show InChI InChI=1S/C29H32F3N5O2/c30-22-14-17(15-23(31)26(22)32)3-8-25(38)37-12-9-19(10-13-37)27(29(33)39)36-20-6-4-18(5-7-20)21-16-35-24-2-1-11-34-28(21)24/h1-3,8,11,14-16,18-20,27,35-36H,4-7,9-10,12-13H2,(H2,33,39) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359102
(CHEMBL1922813)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1 |(25.38,-9.34,;26.71,-10.12,;28.05,-9.35,;26.71,-11.66,;25.37,-12.42,;25.37,-13.96,;24.03,-14.72,;24.03,-16.26,;25.36,-17.03,;26.69,-16.27,;26.7,-14.72,;25.35,-18.57,;24.11,-19.48,;24.59,-20.95,;26.12,-20.94,;27.15,-22.08,;28.65,-21.76,;29.13,-20.29,;28.09,-19.15,;26.6,-19.47,;28.04,-12.43,;28.02,-13.97,;29.35,-14.74,;30.69,-13.98,;30.69,-12.44,;29.36,-11.66,;32.02,-14.76,;32,-16.3,;33.35,-14,;34.68,-14.78,;36.02,-14.02,;37.34,-14.8,;38.68,-14.04,;38.69,-12.5,;40.03,-11.74,;37.35,-11.72,;36.02,-12.49,)| Show InChI InChI=1S/C30H35FN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37)/b14-7+ | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359138
(CHEMBL1922822)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(F)c1 |(27.82,-39.36,;29.15,-40.13,;30.49,-39.36,;29.15,-41.67,;27.81,-42.44,;27.81,-43.98,;26.47,-44.74,;26.47,-46.27,;27.8,-47.05,;29.13,-46.28,;29.14,-44.74,;27.79,-48.59,;26.55,-49.5,;27.03,-50.96,;28.56,-50.95,;29.59,-52.09,;31.1,-51.77,;31.57,-50.3,;30.54,-49.17,;29.04,-49.49,;30.48,-42.44,;30.46,-43.99,;31.79,-44.76,;33.13,-44,;33.14,-42.46,;31.8,-41.68,;34.46,-44.78,;34.45,-46.32,;35.8,-44.02,;37.12,-44.8,;38.46,-44.04,;38.46,-42.5,;39.8,-41.74,;41.13,-42.52,;42.47,-41.75,;41.12,-44.06,;42.45,-44.84,;39.79,-44.82,)| Show InChI InChI=1S/C30H34F2N4O2/c31-25-11-5-19(17-26(25)32)6-12-28(37)36-15-13-21(14-16-36)29(30(33)38)35-22-9-7-20(8-10-22)24-18-34-27-4-2-1-3-23(24)27/h1-6,11-12,17-18,20-22,29,34-35H,7-10,13-16H2,(H2,33,38)/b12-6+ | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359133
(CHEMBL1922783)Show SMILES OC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(42.15,5.56,;43.48,4.79,;44.81,5.55,;43.47,3.25,;42.14,2.48,;42.14,.94,;40.8,.18,;40.79,-1.35,;42.12,-2.13,;43.46,-1.36,;43.47,.18,;42.12,-3.67,;40.88,-4.58,;41.36,-6.04,;42.89,-6.03,;43.92,-7.17,;45.42,-6.85,;45.89,-5.38,;44.86,-4.25,;43.37,-4.57,;44.81,2.47,;44.79,.93,;46.12,.16,;47.46,.92,;47.46,2.46,;46.13,3.24,;48.78,.14,;48.77,-1.4,;50.12,.9,;51.45,.12,;52.79,.88,;52.79,2.41,;54.12,3.18,;54.13,4.72,;55.46,2.4,;56.8,3.16,;55.45,.86,;56.78,.08,;54.11,.1,)| Show InChI InChI=1S/C30H32F3N3O3/c31-24-15-18(16-25(32)28(24)33)5-10-27(37)36-13-11-20(12-14-36)29(30(38)39)35-21-8-6-19(7-9-21)23-17-34-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,34-35H,6-9,11-14H2,(H,38,39)/b10-5+ | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359101
(CHEMBL1922814)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cccc(F)c1 |(41.98,-9.05,;43.32,-9.83,;44.65,-9.06,;43.31,-11.37,;41.97,-12.13,;41.97,-13.67,;40.63,-14.44,;40.63,-15.97,;41.96,-16.75,;43.3,-15.98,;43.3,-14.43,;41.96,-18.29,;40.71,-19.2,;41.19,-20.66,;42.73,-20.65,;43.76,-21.79,;45.26,-21.47,;45.73,-20,;44.7,-18.86,;43.2,-19.19,;44.64,-12.14,;44.63,-13.68,;45.95,-14.46,;47.29,-13.7,;47.3,-12.16,;45.97,-11.37,;48.62,-14.48,;48.61,-16.02,;49.96,-13.71,;51.29,-14.49,;52.63,-13.73,;52.63,-12.2,;53.96,-11.44,;55.3,-12.22,;55.29,-13.76,;56.61,-14.54,;53.95,-14.52,)| Show InChI InChI=1S/C30H35FN4O2/c31-23-5-3-4-20(18-23)8-13-28(36)35-16-14-22(15-17-35)29(30(32)37)34-24-11-9-21(10-12-24)26-19-33-27-7-2-1-6-25(26)27/h1-8,13,18-19,21-22,24,29,33-34H,9-12,14-17H2,(H2,32,37)/b13-8+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359120
(CHEMBL1922796)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccncc12)C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1 |w:28.31,(52.3,5.12,;53.64,4.34,;54.97,5.11,;53.63,2.8,;52.3,2.04,;52.3,.5,;50.96,-.26,;50.95,-1.8,;52.28,-2.57,;53.62,-1.81,;53.63,-.26,;52.28,-4.11,;51.03,-5.02,;51.51,-6.49,;53.05,-6.48,;54.08,-7.62,;55.58,-7.3,;56.05,-5.83,;55.02,-4.69,;53.53,-5.02,;54.96,2.03,;54.95,.49,;56.27,-.29,;57.61,.47,;57.62,2.02,;56.29,2.8,;58.94,-.3,;58.93,-1.84,;60.28,.46,;61.61,-.32,;62.95,.44,;62.95,1.97,;64.28,2.73,;64.29,4.27,;65.62,1.96,;66.96,2.72,;65.61,.41,;66.94,-.37,;64.27,-.35,)| Show InChI InChI=1S/C29H32F3N5O2/c30-23-13-17(14-24(31)27(23)32)1-6-26(38)37-11-8-19(9-12-37)28(29(33)39)36-20-4-2-18(3-5-20)21-16-35-25-7-10-34-15-22(21)25/h1,6-7,10,13-16,18-20,28,35-36H,2-5,8-9,11-12H2,(H2,33,39) | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359122
(CHEMBL1922794)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ncccc12)C1CCN(CC1)C(=O)C=Cc1cc(F)c(F)c(F)c1 |w:28.31,(11.21,5.58,;12.54,4.81,;13.87,5.58,;12.53,3.27,;11.2,2.5,;11.2,.96,;9.86,.2,;9.85,-1.33,;11.18,-2.11,;12.52,-1.34,;12.53,.2,;11.18,-3.65,;9.94,-4.56,;10.42,-6.02,;11.95,-6.01,;12.98,-7.15,;14.48,-6.83,;14.95,-5.36,;13.92,-4.23,;12.43,-4.55,;13.87,2.5,;13.85,.95,;15.18,.18,;16.52,.94,;16.52,2.48,;15.19,3.26,;17.84,.16,;17.83,-1.38,;19.18,.92,;20.51,.14,;21.85,.9,;21.85,2.44,;23.18,3.2,;23.19,4.74,;24.52,2.42,;25.86,3.19,;24.51,.88,;25.84,.1,;23.17,.12,)| Show InChI InChI=1S/C29H32F3N5O2/c30-23-14-17(15-24(31)26(23)32)3-8-25(38)37-12-9-19(10-13-37)27(28(33)39)36-20-6-4-18(5-7-20)22-16-35-29-21(22)2-1-11-34-29/h1-3,8,11,14-16,18-20,27,36H,4-7,9-10,12-13H2,(H2,33,39)(H,34,35) | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359099
(CHEMBL1922816)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1 |(-8.82,-24.84,;-7.49,-25.62,;-6.15,-24.85,;-7.49,-27.16,;-8.83,-27.92,;-8.83,-29.46,;-10.17,-30.22,;-10.17,-31.76,;-8.84,-32.53,;-7.51,-31.77,;-7.5,-30.22,;-8.85,-34.07,;-10.09,-34.98,;-9.61,-36.45,;-8.08,-36.44,;-7.05,-37.58,;-5.54,-37.26,;-5.07,-35.79,;-6.1,-34.65,;-7.6,-34.98,;-6.16,-27.93,;-6.18,-29.47,;-4.85,-30.25,;-3.51,-29.49,;-3.5,-27.94,;-4.84,-27.16,;-2.18,-30.26,;-2.19,-31.8,;-.85,-29.5,;.48,-30.28,;1.82,-29.52,;3.14,-30.31,;4.48,-29.55,;4.49,-28,;5.83,-27.24,;3.16,-27.23,;1.82,-27.99,)| Show InChI InChI=1S/C30H35ClN4O2/c31-23-10-5-20(6-11-23)7-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-24-12-8-21(9-13-24)26-19-33-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,33-34H,8-9,12-13,15-18H2,(H2,32,37)/b14-7+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359134
(CHEMBL1922818)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(F)(F)F |(25.53,-23.99,;26.87,-24.76,;28.2,-23.99,;26.86,-26.3,;25.52,-27.07,;25.52,-28.61,;24.18,-29.37,;24.18,-30.9,;25.51,-31.68,;26.85,-30.91,;26.85,-29.37,;25.51,-33.22,;24.26,-34.13,;24.74,-35.59,;26.28,-35.58,;27.31,-36.72,;28.81,-36.4,;29.28,-34.93,;28.25,-33.8,;26.75,-34.12,;28.19,-27.07,;28.18,-28.62,;29.5,-29.39,;30.84,-28.63,;30.85,-27.09,;29.52,-26.31,;32.17,-29.41,;32.16,-30.95,;33.51,-28.65,;34.84,-29.43,;36.18,-28.67,;37.5,-29.45,;38.84,-28.69,;38.85,-27.15,;37.51,-26.37,;36.18,-27.13,;40.19,-26.39,;41.52,-27.16,;40.19,-24.85,;41.51,-25.6,)| Show InChI InChI=1S/C31H35F3N4O2/c32-31(33,34)23-10-5-20(6-11-23)7-14-28(39)38-17-15-22(16-18-38)29(30(35)40)37-24-12-8-21(9-13-24)26-19-36-27-4-2-1-3-25(26)27/h1-7,10-11,14,19,21-22,24,29,36-37H,8-9,12-13,15-18H2,(H2,35,40)/b14-7+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359139
(CHEMBL1922823)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359109
(CHEMBL1922806)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccccc1 |(-8.41,5.29,;-7.08,4.51,;-5.74,5.28,;-7.08,2.97,;-8.42,2.21,;-8.42,.67,;-9.76,-.09,;-9.76,-1.63,;-8.43,-2.4,;-7.09,-1.64,;-7.09,-.09,;-8.44,-3.94,;-9.68,-4.85,;-9.2,-6.32,;-7.66,-6.31,;-6.64,-7.45,;-5.13,-7.13,;-4.66,-5.66,;-5.69,-4.52,;-7.19,-4.84,;-5.75,2.2,;-5.76,.66,;-4.44,-.11,;-3.1,.65,;-3.09,2.19,;-4.42,2.97,;-1.77,-.13,;-1.78,-1.67,;-.43,.63,;.9,-.15,;2.23,.61,;3.56,-.17,;4.89,.59,;4.91,2.13,;3.57,2.91,;2.24,2.14,)| Show InChI InChI=1S/C30H36N4O2/c31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b15-10+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359100
(CHEMBL1922815)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccccc1F |(59.3,-8.57,;60.63,-9.35,;61.96,-8.58,;60.62,-10.89,;59.29,-11.65,;59.29,-13.19,;57.95,-13.95,;57.94,-15.49,;59.27,-16.26,;60.61,-15.5,;60.62,-13.95,;59.27,-17.8,;58.03,-18.71,;58.51,-20.18,;60.04,-20.17,;61.07,-21.31,;62.57,-20.99,;63.04,-19.52,;62.01,-18.38,;60.52,-18.7,;61.96,-11.66,;61.94,-13.2,;63.27,-13.97,;64.61,-13.21,;64.61,-11.67,;63.28,-10.89,;65.93,-13.99,;65.92,-15.53,;67.27,-13.23,;68.6,-14.01,;69.94,-13.25,;69.94,-11.72,;71.27,-10.95,;72.61,-11.73,;72.6,-13.27,;71.26,-14.03,;71.25,-15.57,)| Show InChI InChI=1S/C30H35FN4O2/c31-26-7-3-1-5-21(26)11-14-28(36)35-17-15-22(16-18-35)29(30(32)37)34-23-12-9-20(10-13-23)25-19-33-27-8-4-2-6-24(25)27/h1-8,11,14,19-20,22-23,29,33-34H,9-10,12-13,15-18H2,(H2,32,37)/b14-11+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359135
(CHEMBL1922819)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1 |(42.37,-22.98,;43.7,-23.75,;45.04,-22.98,;43.7,-25.29,;42.36,-26.06,;42.36,-27.6,;41.02,-28.36,;41.02,-29.89,;42.35,-30.67,;43.69,-29.9,;43.69,-28.36,;42.34,-32.21,;41.1,-33.12,;41.58,-34.58,;43.12,-34.57,;44.14,-35.71,;45.65,-35.39,;46.12,-33.92,;45.09,-32.79,;43.59,-33.11,;45.03,-26.06,;45.02,-27.61,;46.34,-28.38,;47.68,-27.62,;47.69,-26.08,;46.36,-25.3,;49.01,-28.4,;49,-29.94,;50.35,-27.64,;51.68,-28.42,;53.02,-27.66,;54.34,-28.44,;55.68,-27.68,;55.69,-26.14,;57.02,-25.37,;58.35,-26.15,;59.69,-25.39,;58.35,-27.69,;59.68,-26.92,;54.35,-25.36,;53.02,-26.12,)| Show InChI InChI=1S/C31H35F3N4O3/c32-31(33,34)41-24-12-5-20(6-13-24)7-14-28(39)38-17-15-22(16-18-38)29(30(35)40)37-23-10-8-21(9-11-23)26-19-36-27-4-2-1-3-25(26)27/h1-7,12-14,19,21-23,29,36-37H,8-11,15-18H2,(H2,35,40)/b14-7+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359117
(CHEMBL1922799)Show SMILES COc1ccc(cn1)C1CCC(CC1)NC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(N)=O |(28.92,-24.66,;30.25,-23.9,;30.26,-22.36,;28.92,-21.58,;28.93,-20.04,;30.27,-19.28,;31.6,-20.05,;31.6,-21.58,;30.28,-17.74,;28.95,-16.96,;28.95,-15.43,;30.29,-14.67,;31.62,-15.43,;31.62,-16.97,;30.29,-13.13,;31.63,-12.36,;32.96,-13.14,;32.95,-14.68,;34.27,-15.45,;35.61,-14.69,;35.62,-13.15,;34.29,-12.37,;36.94,-15.47,;36.93,-17.01,;38.28,-14.71,;39.61,-15.49,;40.94,-14.73,;40.95,-13.2,;42.28,-12.43,;42.28,-10.89,;43.62,-13.21,;44.95,-12.45,;43.6,-14.75,;44.93,-15.53,;42.27,-15.51,;31.63,-10.82,;30.3,-10.05,;32.97,-10.06,)| Show InChI InChI=1S/C28H33F3N4O3/c1-38-24-8-5-20(16-33-24)18-3-6-21(7-4-18)34-27(28(32)37)19-10-12-35(13-11-19)25(36)9-2-17-14-22(29)26(31)23(30)15-17/h2,5,8-9,14-16,18-19,21,27,34H,3-4,6-7,10-13H2,1H3,(H2,32,37)/b9-2+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359124
(CHEMBL1922792)Show SMILES ONC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(38.98,-38.1,;40.32,-37.33,;41.65,-38.11,;42.99,-37.34,;41.65,-39.65,;40.31,-40.41,;40.31,-41.95,;38.97,-42.72,;38.97,-44.25,;40.3,-45.03,;41.63,-44.26,;41.64,-42.71,;40.29,-46.57,;39.05,-47.48,;39.53,-48.94,;41.06,-48.93,;42.09,-50.07,;43.6,-49.75,;44.07,-48.28,;43.04,-47.14,;41.54,-47.47,;42.98,-40.42,;42.96,-41.96,;44.29,-42.74,;45.63,-41.98,;45.64,-40.44,;44.3,-39.65,;46.96,-42.76,;46.95,-44.3,;48.29,-41.99,;49.62,-42.77,;50.96,-42.01,;50.96,-40.48,;52.3,-39.72,;52.3,-38.18,;53.63,-40.5,;54.97,-39.73,;53.62,-42.04,;54.95,-42.82,;52.28,-42.8,)| Show InChI InChI=1S/C30H33F3N4O3/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(39)36-40)35-21-8-6-19(7-9-21)23-17-34-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,34-35,40H,6-9,11-14H2,(H,36,39)/b10-5+ | PDB
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| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359140
(CHEMBL1922824)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C/c1cc(F)cc(F)c1 |(-8.3,4.99,;-6.97,4.22,;-5.63,4.99,;-6.97,2.68,;-8.31,1.91,;-8.31,.37,;-9.65,-.39,;-9.65,-1.92,;-8.32,-2.7,;-6.99,-1.93,;-6.98,-.39,;-8.33,-4.24,;-9.57,-5.15,;-9.09,-6.61,;-7.56,-6.6,;-6.53,-7.74,;-5.02,-7.42,;-4.55,-5.95,;-5.58,-4.82,;-7.08,-5.14,;-5.64,1.91,;-5.66,.36,;-4.33,-.41,;-2.99,.35,;-2.98,1.89,;-4.32,2.67,;-1.66,-.43,;-1.67,-1.97,;-.32,.33,;1,-.44,;1,-1.98,;2.34,-2.74,;2.35,-4.27,;3.68,-5.04,;1.01,-5.05,;-.33,-4.29,;-1.66,-5.06,;-.33,-2.75,)| Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5- | PDB
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359128
(CHEMBL1922788 | US8921559, 49a | US8921559, 49b)Show SMILES COC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(17.93,-23.92,;16.6,-23.15,;15.26,-23.91,;13.93,-23.14,;15.26,-25.45,;13.92,-26.22,;13.92,-27.76,;12.58,-28.52,;12.58,-30.05,;13.91,-30.83,;15.24,-30.06,;15.25,-28.52,;13.9,-32.37,;12.66,-33.28,;13.14,-34.74,;14.67,-34.73,;15.7,-35.87,;17.21,-35.55,;17.68,-34.08,;16.65,-32.95,;15.15,-33.27,;16.59,-26.23,;16.57,-27.77,;17.9,-28.54,;19.24,-27.78,;19.25,-26.24,;17.91,-25.46,;20.57,-28.56,;20.56,-30.1,;21.9,-27.8,;23.23,-28.58,;24.57,-27.82,;24.57,-26.29,;25.91,-25.52,;25.91,-23.98,;27.24,-26.3,;28.58,-25.54,;27.23,-27.84,;28.56,-28.62,;25.89,-28.6,)| Show InChI InChI=1S/C31H34F3N3O3/c1-40-31(39)30(36-22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35-36H,7-10,12-15H2,1H3/b11-6+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359123
(CHEMBL1922793)Show SMILES NC(=O)C(NC1CCC(CC1)C1CNc2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-8.49,5.51,;-7.15,4.74,;-5.82,5.51,;-7.16,3.2,;-8.5,2.43,;-8.5,.89,;-9.84,.13,;-9.84,-1.4,;-8.51,-2.18,;-7.17,-1.41,;-7.17,.13,;-8.51,-3.72,;-9.76,-4.63,;-9.28,-6.09,;-7.74,-6.08,;-6.71,-7.22,;-5.21,-6.9,;-4.74,-5.43,;-5.77,-4.3,;-7.27,-4.62,;-5.83,2.43,;-5.84,.88,;-4.52,.11,;-3.18,.87,;-3.17,2.41,;-4.5,3.19,;-1.85,.09,;-1.86,-1.45,;-.51,.85,;.82,.07,;2.16,.83,;2.16,2.37,;3.49,3.13,;3.49,4.67,;4.83,2.35,;6.17,3.12,;4.82,.81,;6.14,.03,;3.48,.05,)| Show InChI InChI=1S/C30H35F3N4O2/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(34)39)36-21-8-6-19(7-9-21)23-17-35-26-4-2-1-3-22(23)26/h1-5,10,15-16,19-21,23,29,35-36H,6-9,11-14,17H2,(H2,34,39)/b10-5+ | PDB
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| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359126
(CHEMBL1922790)Show SMILES CNC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-8.01,-39.15,;-6.67,-38.38,;-5.34,-39.16,;-4.01,-38.39,;-5.35,-40.7,;-6.68,-41.46,;-6.68,-43,;-8.02,-43.77,;-8.03,-45.3,;-6.7,-46.08,;-5.36,-45.31,;-5.35,-43.76,;-6.7,-47.62,;-7.95,-48.53,;-7.46,-49.99,;-5.93,-49.98,;-4.9,-51.12,;-3.4,-50.8,;-2.93,-49.33,;-3.96,-48.19,;-5.45,-48.52,;-4.02,-41.47,;-4.03,-43.01,;-2.71,-43.79,;-1.37,-43.03,;-1.36,-41.49,;-2.69,-40.7,;-.04,-43.81,;-.05,-45.35,;1.3,-43.04,;2.63,-43.82,;3.97,-43.06,;3.97,-41.53,;5.3,-40.77,;5.31,-39.23,;6.64,-41.55,;7.98,-40.78,;6.63,-43.09,;7.96,-43.87,;5.29,-43.85,)| Show InChI InChI=1S/C31H35F3N4O2/c1-35-31(40)30(37-22-9-7-20(8-10-22)24-18-36-27-5-3-2-4-23(24)27)21-12-14-38(15-13-21)28(39)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,36-37H,7-10,12-15H2,1H3,(H,35,40)/b11-6+ | PDB
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| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359125
(CHEMBL1922791)Show SMILES CN(C)C(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(14.23,-36.62,;14.22,-38.16,;12.89,-38.92,;15.56,-38.93,;16.89,-38.17,;15.55,-40.47,;14.22,-41.24,;14.22,-42.78,;12.88,-43.54,;12.87,-45.07,;14.2,-45.85,;15.54,-45.08,;15.55,-43.54,;14.2,-47.39,;12.95,-48.3,;13.43,-49.76,;14.97,-49.75,;16,-50.89,;17.5,-50.57,;17.97,-49.1,;16.94,-47.97,;15.45,-48.29,;16.88,-41.25,;16.87,-42.79,;18.19,-43.56,;19.53,-42.8,;19.54,-41.26,;18.21,-40.48,;20.86,-43.58,;20.85,-45.12,;22.2,-42.82,;23.53,-43.6,;24.87,-42.84,;24.87,-41.31,;26.2,-40.54,;26.21,-39,;27.54,-41.32,;28.88,-40.56,;27.53,-42.86,;28.86,-43.64,;26.19,-43.62,)| Show InChI InChI=1S/C32H37F3N4O2/c1-38(2)32(41)31(37-23-10-8-21(9-11-23)25-19-36-28-6-4-3-5-24(25)28)22-13-15-39(16-14-22)29(40)12-7-20-17-26(33)30(35)27(34)18-20/h3-7,12,17-19,21-23,31,36-37H,8-11,13-16H2,1-2H3/b12-7+ | PDB
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| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359107
(CHEMBL1922808)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)C1CC1c1ccccc1 |(27.7,6.46,;29.03,5.68,;30.36,6.45,;29.02,4.14,;27.69,3.38,;27.69,1.84,;26.35,1.07,;26.34,-.46,;27.67,-1.24,;29.01,-.47,;29.02,1.08,;27.67,-2.78,;26.42,-3.69,;26.91,-5.15,;28.44,-5.14,;29.47,-6.28,;30.97,-5.96,;31.44,-4.49,;30.41,-3.36,;28.92,-3.68,;30.35,3.37,;30.34,1.83,;31.66,1.05,;33,1.81,;33.01,3.35,;31.68,4.14,;34.33,1.03,;34.32,-.51,;35.67,1.79,;36.45,3.13,;37.21,1.79,;38.54,1.01,;38.52,-.53,;39.85,-1.31,;41.19,-.55,;41.2,1,;39.87,1.77,)| Show InChI InChI=1S/C31H38N4O2/c32-30(36)29(34-23-12-10-21(11-13-23)27-19-33-28-9-5-4-8-24(27)28)22-14-16-35(17-15-22)31(37)26-18-25(26)20-6-2-1-3-7-20/h1-9,19,21-23,25-26,29,33-34H,10-18H2,(H2,32,36) | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359110
(CHEMBL1922805)Show SMILES NC(=O)C(NC1CCC(C1)c1ccccc1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C27H30F3N3O2/c28-22-14-17(15-23(29)25(22)30)6-9-24(34)33-12-10-19(11-13-33)26(27(31)35)32-21-8-7-20(16-21)18-4-2-1-3-5-18/h1-6,9,14-15,19-21,26,32H,7-8,10-13,16H2,(H2,31,35)/b9-6+ | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359112
(CHEMBL1922803)Show SMILES NC(=O)C(NC1Cc2ccccc2C1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C25H26F3N3O2/c26-20-11-15(12-21(27)23(20)28)5-6-22(32)31-9-7-16(8-10-31)24(25(29)33)30-19-13-17-3-1-2-4-18(17)14-19/h1-6,11-12,16,19,24,30H,7-10,13-14H2,(H2,29,33)/b6-5+ | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50224504
((E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3...)Show SMILES NC(=O)C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)N1CCC(CC1)c1c[nH]c2ccccc12 |w:3.24| Show InChI InChI=1S/C29H31F3N4O2/c30-23-15-18(16-24(31)27(23)32)5-6-26(37)35-11-9-20(10-12-35)28(29(33)38)36-13-7-19(8-14-36)22-17-34-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,34H,7-14H2,(H2,33,38)/b6-5+ | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359136
(CHEMBL1922820)Show SMILES CN(C)c1ccc(\C=C\C(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1 |(7.79,-42.7,;6.46,-41.93,;6.47,-40.39,;5.12,-42.69,;5.11,-44.23,;3.77,-44.99,;2.45,-44.21,;1.11,-44.97,;-.22,-44.19,;-1.55,-44.95,;-1.56,-46.49,;-2.88,-44.17,;-4.22,-44.93,;-5.55,-44.16,;-5.53,-42.61,;-4.21,-41.85,;-2.87,-42.63,;-6.86,-41.84,;-8.2,-42.61,;-8.2,-44.15,;-9.54,-44.91,;-9.54,-46.44,;-8.21,-47.22,;-6.88,-46.45,;-6.87,-44.91,;-8.22,-48.76,;-9.46,-49.67,;-8.98,-51.13,;-7.45,-51.12,;-6.42,-52.26,;-4.91,-51.94,;-4.44,-50.47,;-5.47,-49.34,;-6.97,-49.66,;-6.86,-40.3,;-8.19,-39.53,;-5.52,-39.53,;2.45,-42.67,;3.79,-41.91,)| Show InChI InChI=1S/C32H41N5O2/c1-36(2)26-14-7-22(8-15-26)9-16-30(38)37-19-17-24(18-20-37)31(32(33)39)35-25-12-10-23(11-13-25)28-21-34-29-6-4-3-5-27(28)29/h3-9,14-16,21,23-25,31,34-35H,10-13,17-20H2,1-2H3,(H2,33,39)/b16-9+ | PDB
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| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359121
(CHEMBL1922795)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cnccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(32.32,5.53,;33.66,4.76,;34.99,5.52,;33.65,3.22,;32.31,2.45,;32.31,.91,;30.97,.15,;30.97,-1.39,;32.3,-2.16,;33.64,-1.39,;33.64,.15,;32.3,-3.7,;31.05,-4.61,;31.53,-6.08,;33.07,-6.07,;34.1,-7.21,;35.6,-6.89,;36.07,-5.41,;35.04,-4.28,;33.54,-4.6,;34.98,2.44,;34.97,.9,;36.29,.13,;37.63,.89,;37.64,2.43,;36.31,3.21,;38.96,.11,;38.95,-1.43,;40.3,.87,;41.63,.09,;42.97,.85,;42.97,2.38,;44.3,3.15,;44.3,4.69,;45.64,2.37,;46.98,3.13,;45.63,.83,;46.95,.05,;44.29,.07,)| Show InChI InChI=1S/C29H32F3N5O2/c30-23-13-17(14-24(31)27(23)32)1-6-26(38)37-11-8-19(9-12-37)28(29(33)39)36-20-4-2-18(3-5-20)22-15-35-25-16-34-10-7-21(22)25/h1,6-7,10,13-16,18-20,28,35-36H,2-5,8-9,11-12H2,(H2,33,39)/b6-1+ | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359111
(CHEMBL1922804)Show SMILES NC(=O)C(NC1CCc2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C25H26F3N3O2/c26-19-13-15(14-20(27)23(19)28)5-8-22(32)31-11-9-17(10-12-31)24(25(29)33)30-21-7-6-16-3-1-2-4-18(16)21/h1-5,8,13-14,17,21,24,30H,6-7,9-12H2,(H2,29,33)/b8-5+ | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359115
(CHEMBL1922801)Show SMILES Fc1cc(\C=C\C(=O)N2CCC(CC2)C2NC3(CCC(CC3)c3c[nH]c4ccccc34)NC2=O)cc(F)c1F Show InChI InChI=1S/C30H31F3N4O2/c31-23-15-18(16-24(32)27(23)33)5-6-26(38)37-13-9-20(10-14-37)28-29(39)36-30(35-28)11-7-19(8-12-30)22-17-34-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,34-35H,7-14H2,(H,36,39)/b6-5+ | PDB
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| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359118
(CHEMBL1922798)Show SMILES NC(=O)C(NC1CCC(CC1)c1ccccc1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(10.21,-10.17,;11.54,-10.94,;12.88,-10.17,;11.54,-12.48,;10.2,-13.25,;10.2,-14.79,;8.86,-15.55,;8.86,-17.08,;10.19,-17.86,;11.53,-17.09,;11.53,-15.55,;10.18,-19.39,;8.84,-20.16,;8.83,-21.7,;10.17,-22.47,;11.51,-21.7,;11.51,-20.16,;12.87,-13.25,;12.86,-14.8,;14.18,-15.57,;15.52,-14.81,;15.53,-13.27,;14.2,-12.49,;16.85,-15.59,;16.84,-17.13,;18.19,-14.83,;19.52,-15.61,;20.85,-14.85,;20.86,-13.31,;22.19,-12.55,;22.19,-11.01,;23.53,-13.33,;24.86,-12.56,;23.51,-14.87,;24.84,-15.65,;22.18,-15.63,)| Show InChI InChI=1S/C28H32F3N3O2/c29-23-16-18(17-24(30)26(23)31)6-11-25(35)34-14-12-21(13-15-34)27(28(32)36)33-22-9-7-20(8-10-22)19-4-2-1-3-5-19/h1-6,11,16-17,20-22,27,33H,7-10,12-15H2,(H2,32,36)/b11-6+ | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359132
(CHEMBL1922784)Show SMILES CN(C(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(O)=O)C1CCC(CC1)c1c[nH]c2ccccc12 |(-8.21,-10.82,;-6.88,-11.59,;-5.54,-10.82,;-4.21,-11.6,;-4.22,-13.14,;-2.9,-13.91,;-1.56,-13.15,;-1.55,-11.61,;-2.88,-10.83,;-.23,-13.93,;-.24,-15.47,;1.11,-13.17,;2.44,-13.95,;3.77,-13.19,;3.78,-11.66,;5.11,-10.89,;5.11,-9.35,;6.45,-11.67,;7.78,-10.91,;6.43,-13.21,;7.76,-13.99,;5.1,-13.97,;-5.54,-9.28,;-6.87,-8.51,;-4.2,-8.52,;-6.88,-13.13,;-8.22,-13.89,;-8.22,-15.42,;-6.89,-16.2,;-5.55,-15.43,;-5.55,-13.89,;-6.9,-17.74,;-8.14,-18.65,;-7.66,-20.11,;-6.12,-20.1,;-5.1,-21.24,;-3.59,-20.92,;-3.12,-19.45,;-4.15,-18.32,;-5.65,-18.64,)| Show InChI InChI=1S/C31H34F3N3O3/c1-36(22-9-7-20(8-10-22)24-18-35-27-5-3-2-4-23(24)27)30(31(39)40)21-12-14-37(15-13-21)28(38)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,35H,7-10,12-15H2,1H3,(H,39,40)/b11-6+ | PDB
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| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359130
(CHEMBL1922786)Show SMILES CC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(40.78,-8.87,;40.78,-10.41,;39.44,-11.18,;39.44,-12.72,;38.1,-13.48,;38.1,-15.01,;39.43,-15.79,;40.76,-15.02,;40.77,-13.48,;39.42,-17.33,;38.18,-18.24,;38.66,-19.7,;40.19,-19.69,;41.22,-20.83,;42.72,-20.51,;43.2,-19.04,;42.16,-17.91,;40.67,-18.23,;42.11,-11.18,;42.09,-12.73,;43.42,-13.5,;44.76,-12.74,;44.76,-11.2,;43.43,-10.42,;46.09,-13.52,;46.07,-15.06,;47.42,-12.76,;48.75,-13.54,;50.09,-12.78,;50.09,-11.24,;51.42,-10.48,;51.43,-8.94,;52.76,-11.26,;54.1,-10.5,;52.75,-12.8,;54.08,-13.58,;51.41,-13.56,)| Show InChI InChI=1S/C30H34F3N3O/c1-19(35-23-9-7-22(8-10-23)25-18-34-28-5-3-2-4-24(25)28)21-12-14-36(15-13-21)29(37)11-6-20-16-26(31)30(33)27(32)17-20/h2-6,11,16-19,21-23,34-35H,7-10,12-15H2,1H3/b11-6+ | PDB
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| n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359129
(CHEMBL1922787)Show SMILES OCC(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-5.19,-24.2,;-6.52,-24.96,;-6.53,-26.5,;-7.87,-27.27,;-7.87,-28.81,;-9.21,-29.57,;-9.21,-31.1,;-7.88,-31.88,;-6.54,-31.11,;-6.54,-29.57,;-7.88,-33.42,;-9.13,-34.33,;-8.65,-35.79,;-7.11,-35.78,;-6.08,-36.92,;-4.58,-36.6,;-4.11,-35.13,;-5.14,-34,;-6.64,-34.32,;-5.2,-27.28,;-5.21,-28.82,;-3.89,-29.59,;-2.55,-28.83,;-2.54,-27.29,;-3.87,-26.51,;-1.22,-29.61,;-1.23,-31.15,;.12,-28.85,;1.45,-29.63,;2.79,-28.87,;2.79,-27.34,;4.12,-26.57,;4.12,-25.03,;5.46,-27.35,;6.8,-26.59,;5.45,-28.89,;6.77,-29.67,;4.11,-29.65,)| Show InChI InChI=1S/C30H34F3N3O2/c31-25-15-19(16-26(32)30(25)33)5-10-29(38)36-13-11-21(12-14-36)28(18-37)35-22-8-6-20(7-9-22)24-17-34-27-4-2-1-3-23(24)27/h1-5,10,15-17,20-22,28,34-35,37H,6-9,11-14,18H2/b10-5+ | PDB
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| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359105
(CHEMBL1922811)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccccc1 |(-7.99,-9.65,;-6.66,-10.43,;-5.32,-9.66,;-6.66,-11.97,;-8,-12.73,;-8,-14.27,;-9.34,-15.03,;-9.34,-16.57,;-8.01,-17.34,;-6.67,-16.58,;-6.67,-15.03,;-8.02,-18.88,;-9.26,-19.79,;-8.78,-21.26,;-7.24,-21.25,;-6.22,-22.39,;-4.71,-22.07,;-4.24,-20.6,;-5.27,-19.46,;-6.77,-19.79,;-5.33,-12.74,;-5.34,-14.28,;-4.02,-15.06,;-2.68,-14.3,;-2.67,-12.75,;-4,-11.97,;-1.35,-15.07,;-1.36,-16.61,;-.01,-14.31,;1.32,-15.09,;1.3,-16.63,;2.63,-17.41,;3.97,-16.65,;3.97,-15.1,;2.64,-14.33,)| Show InChI InChI=1S/C28H35N5O2/c29-27(34)26(20-14-16-33(17-15-20)28(35)32-21-6-2-1-3-7-21)31-22-12-10-19(11-13-22)24-18-30-25-9-5-4-8-23(24)25/h1-9,18-20,22,26,30-31H,10-17H2,(H2,29,34)(H,32,35) | PDB
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| n/a | n/a | 9.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359098
(CHEMBL1922817)Show SMILES CS(=O)(=O)c1ccc(\C=C\C(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1 |(24.34,-27.55,;23.01,-26.77,;22.23,-25.43,;23.4,-25.28,;21.67,-27.54,;21.66,-29.08,;20.33,-29.84,;19,-29.06,;17.66,-29.82,;16.34,-29.04,;15,-29.8,;14.99,-31.34,;13.67,-29.02,;12.33,-29.78,;11,-29.01,;11.02,-27.46,;12.34,-26.7,;13.68,-27.48,;9.69,-26.69,;8.35,-27.46,;8.35,-29,;7.01,-29.76,;7.01,-31.29,;8.34,-32.07,;9.67,-31.3,;9.68,-29.76,;8.33,-33.61,;7.09,-34.52,;7.57,-35.98,;9.1,-35.97,;10.13,-37.11,;11.64,-36.79,;12.11,-35.32,;11.08,-34.19,;9.58,-34.51,;9.69,-25.15,;8.36,-24.38,;11.03,-24.38,;19,-27.52,;20.34,-26.76,)| Show InChI InChI=1S/C31H38N4O4S/c1-40(38,39)25-13-6-21(7-14-25)8-15-29(36)35-18-16-23(17-19-35)30(31(32)37)34-24-11-9-22(10-12-24)27-20-33-28-5-3-2-4-26(27)28/h2-8,13-15,20,22-24,30,33-34H,9-12,16-19H2,1H3,(H2,32,37)/b15-8+ | PDB
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| n/a | n/a | 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359116
(CHEMBL1922800)Show SMILES CC(C)C1CCC(CC1)NC(C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1)C(N)=O |(52.35,-20.41,;51.02,-19.63,;49.68,-20.4,;51.03,-18.1,;49.7,-17.32,;49.7,-15.79,;51.04,-15.03,;52.37,-15.79,;52.37,-17.33,;51.04,-13.49,;52.38,-12.72,;53.71,-13.49,;53.7,-15.04,;55.02,-15.81,;56.36,-15.05,;56.37,-13.51,;55.04,-12.73,;57.69,-15.83,;57.68,-17.37,;59.03,-15.07,;60.36,-15.85,;61.7,-15.09,;61.7,-13.55,;63.03,-12.79,;63.03,-11.25,;64.37,-13.57,;65.7,-12.81,;64.36,-15.11,;65.68,-15.89,;63.02,-15.87,;52.38,-11.18,;51.05,-10.41,;53.72,-10.41,)| Show InChI InChI=1S/C25H34F3N3O2/c1-15(2)17-4-6-19(7-5-17)30-24(25(29)33)18-9-11-31(12-10-18)22(32)8-3-16-13-20(26)23(28)21(27)14-16/h3,8,13-15,17-19,24,30H,4-7,9-12H2,1-2H3,(H2,29,33)/b8-3+ | PDB
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| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359137
(CHEMBL1922821)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1c(F)cccc1F |(8.48,-39.47,;9.81,-40.25,;11.14,-39.48,;9.8,-41.79,;8.47,-42.55,;8.47,-44.09,;7.13,-44.85,;7.12,-46.39,;8.45,-47.16,;9.79,-46.4,;9.8,-44.85,;8.45,-48.7,;7.21,-49.61,;7.69,-51.08,;9.22,-51.07,;10.25,-52.21,;11.75,-51.89,;12.22,-50.42,;11.19,-49.28,;9.7,-49.61,;11.14,-42.56,;11.12,-44.1,;12.45,-44.88,;13.79,-44.12,;13.79,-42.57,;12.46,-41.79,;15.11,-44.89,;15.1,-46.43,;16.45,-44.13,;17.78,-44.91,;19.12,-44.15,;19.12,-42.62,;17.79,-41.85,;20.45,-41.86,;21.79,-42.63,;21.78,-44.18,;20.44,-44.94,;20.43,-46.48,)| Show InChI InChI=1S/C30H34F2N4O2/c31-25-5-3-6-26(32)23(25)12-13-28(37)36-16-14-20(15-17-36)29(30(33)38)35-21-10-8-19(9-11-21)24-18-34-27-7-2-1-4-22(24)27/h1-7,12-13,18-21,29,34-35H,8-11,14-17H2,(H2,33,38)/b13-12+ | PDB
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359108
(CHEMBL1922807)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)CCc1ccccc1 |(9.12,5.93,;10.45,5.15,;11.79,5.92,;10.45,3.61,;9.11,2.85,;9.11,1.31,;7.77,.54,;7.77,-.99,;9.1,-1.77,;10.44,-1,;10.44,.55,;9.09,-3.31,;7.85,-4.22,;8.33,-5.68,;9.87,-5.67,;10.89,-6.81,;12.4,-6.49,;12.87,-5.02,;11.84,-3.88,;10.34,-4.21,;11.78,2.84,;11.77,1.3,;13.09,.52,;14.43,1.28,;14.44,2.82,;13.11,3.61,;15.76,.5,;15.75,-1.04,;17.1,1.27,;18.43,.49,;19.77,1.25,;21.09,.46,;22.43,1.22,;22.44,2.76,;21.1,3.54,;19.77,2.78,)| Show InChI InChI=1S/C30H38N4O2/c31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-9,20,22-24,29,32-33H,10-19H2,(H2,31,36) | PDB
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| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359114
(CHEMBL1921811)Show SMILES NC(=O)C(NC1CCP(=O)(CC1)c1ccccc1)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 Show InChI InChI=1S/C27H31F3N3O3P/c28-22-16-18(17-23(29)25(22)30)6-7-24(34)33-12-8-19(9-13-33)26(27(31)35)32-20-10-14-37(36,15-11-20)21-4-2-1-3-5-21/h1-7,16-17,19-20,26,32H,8-15H2,(H2,31,35)/b7-6+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359131
(CHEMBL1922785)Show SMILES Fc1cc(\C=C\C(=O)N2CCC(CNC3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc(F)c1F |(26.61,-9.12,;26.61,-10.66,;25.27,-11.42,;25.27,-12.96,;23.93,-13.72,;22.6,-12.94,;21.27,-13.7,;21.26,-15.24,;19.94,-12.92,;18.6,-13.68,;17.27,-12.91,;17.29,-11.36,;15.96,-10.59,;14.62,-11.36,;14.62,-12.9,;13.28,-13.66,;13.28,-15.19,;14.61,-15.97,;15.94,-15.2,;15.95,-13.66,;14.6,-17.51,;13.36,-18.42,;13.84,-19.88,;15.37,-19.87,;16.4,-21.01,;17.91,-20.69,;18.38,-19.22,;17.35,-18.09,;15.85,-18.41,;18.61,-10.6,;19.95,-11.38,;26.59,-13.74,;27.93,-12.98,;29.26,-13.76,;27.94,-11.44,;29.28,-10.67,)| Show InChI InChI=1S/C29H32F3N3O/c30-25-15-20(16-26(31)29(25)32)5-10-28(36)35-13-11-19(12-14-35)17-33-22-8-6-21(7-9-22)24-18-34-27-4-2-1-3-23(24)27/h1-5,10,15-16,18-19,21-22,33-34H,6-9,11-14,17H2/b10-5+ | PDB
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359103
(CHEMBL1922812)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(Cc2ccccc2)CC1 |(9.11,-9.98,;10.45,-10.75,;11.78,-9.99,;10.44,-12.29,;9.11,-13.06,;9.11,-14.6,;7.77,-15.36,;7.76,-16.89,;9.09,-17.67,;10.43,-16.9,;10.44,-15.36,;9.09,-19.21,;7.84,-20.12,;8.32,-21.58,;9.86,-21.57,;10.89,-22.71,;12.39,-22.39,;12.86,-20.92,;11.83,-19.79,;10.34,-20.11,;11.77,-13.07,;11.76,-14.61,;13.08,-15.38,;14.42,-14.62,;15.75,-15.4,;17.09,-14.64,;18.41,-15.43,;19.75,-14.67,;19.76,-13.12,;18.43,-12.35,;17.09,-13.11,;14.43,-13.08,;13.1,-12.3,)| Show InChI InChI=1S/C28H36N4O/c29-28(33)27(22-14-16-32(17-15-22)19-20-6-2-1-3-7-20)31-23-12-10-21(11-13-23)25-18-30-26-9-5-4-8-24(25)26/h1-9,18,21-23,27,30-31H,10-17,19H2,(H2,29,33) | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359113
(CHEMBL1922802)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CN(C1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(38.72,-24.2,;40.06,-24.97,;41.39,-24.2,;40.05,-26.51,;38.72,-27.28,;38.72,-28.82,;37.38,-29.58,;37.37,-31.11,;38.7,-31.89,;40.04,-31.12,;40.05,-29.58,;38.7,-33.43,;37.45,-34.34,;37.93,-35.8,;39.47,-35.79,;40.5,-36.93,;42,-36.61,;42.47,-35.14,;41.44,-34.01,;39.95,-34.33,;41.38,-27.28,;41.78,-28.77,;43.27,-28.38,;42.87,-26.89,;44.6,-29.16,;44.59,-30.7,;45.94,-28.4,;47.26,-29.18,;48.6,-28.41,;48.6,-26.88,;49.94,-26.12,;49.94,-24.58,;51.27,-26.9,;52.61,-26.13,;51.26,-28.44,;52.59,-29.22,;49.93,-29.2,)| Show InChI InChI=1S/C28H29F3N4O2/c29-22-11-16(12-23(30)26(22)31)5-10-25(36)35-14-18(15-35)27(28(32)37)34-19-8-6-17(7-9-19)21-13-33-24-4-2-1-3-20(21)24/h1-5,10-13,17-19,27,33-34H,6-9,14-15H2,(H2,32,37)/b10-5+ | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359106
(CHEMBL1922809)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Cc1ccccc1 |(43.31,5.77,;44.65,5,;45.98,5.76,;44.64,3.46,;43.3,2.69,;43.3,1.15,;41.96,.39,;41.96,-1.14,;43.29,-1.92,;44.63,-1.15,;44.63,.39,;43.29,-3.46,;42.04,-4.37,;42.52,-5.83,;44.06,-5.82,;45.09,-6.96,;46.59,-6.64,;47.06,-5.17,;46.03,-4.04,;44.53,-4.36,;45.97,2.68,;45.96,1.14,;47.28,.37,;48.62,1.13,;48.63,2.67,;47.3,3.45,;49.95,.35,;49.94,-1.19,;51.29,1.11,;52.62,.33,;52.6,-1.21,;53.93,-1.99,;55.27,-1.23,;55.27,.32,;53.95,1.09,)| Show InChI InChI=1S/C29H36N4O2/c30-29(35)28(22-14-16-33(17-15-22)27(34)18-20-6-2-1-3-7-20)32-23-12-10-21(11-13-23)25-19-31-26-9-5-4-8-24(25)26/h1-9,19,21-23,28,31-32H,10-18H2,(H2,30,35) | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50359104
(CHEMBL1922810)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)c1ccccc1 |(58.09,5.58,;59.42,4.81,;60.76,5.58,;59.42,3.27,;58.08,2.5,;58.08,.96,;56.74,.2,;56.74,-1.33,;58.07,-2.11,;59.41,-1.34,;59.41,.2,;58.06,-3.65,;56.82,-4.56,;57.3,-6.02,;58.84,-6.01,;59.86,-7.15,;61.37,-6.83,;61.84,-5.36,;60.81,-4.23,;59.31,-4.55,;60.75,2.5,;60.74,.95,;62.06,.18,;63.4,.94,;63.41,2.48,;62.08,3.26,;64.73,.16,;64.72,-1.38,;66.07,.92,;67.39,.14,;68.73,.9,;68.74,2.44,;67.4,3.22,;66.07,2.45,)| Show InChI InChI=1S/C28H34N4O2/c29-27(33)26(20-14-16-32(17-15-20)28(34)21-6-2-1-3-7-21)31-22-12-10-19(11-13-22)24-18-30-25-9-5-4-8-23(24)25/h1-9,18-20,22,26,30-31H,10-17H2,(H2,29,33) | PDB
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Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Antagonist activity at human CCR2 |
Bioorg Med Chem Lett 21: 7496-501 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M |
More data for this
Ligand-Target Pair | |
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