Found 61 hits Enz. Inhib. hit(s) with all data for entry = 6619 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)) | BDBM141916
(US8921559, 2a)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,w:3.2,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;-.82,-3.43,;.52,-4.2,;1.85,-3.43,;1.85,-1.89,;.52,-1.12,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;11.19,-4.2,;9.85,-1.89,;8.52,-1.12,;8.52,.42,;7.19,-1.89,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141942
(US8921559, 36 | US8921559, 38a | US8921559, 38b)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141942
(US8921559, 36 | US8921559, 38a | US8921559, 38b)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141918
(US8921559, 4a | US8921559, 4b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |(-.15,1.57,;-1.48,.8,;-2.82,1.57,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-.15,-1.51,;-.15,-3.05,;1.18,-3.82,;2.52,-3.05,;2.52,-1.51,;1.18,-.74,;3.85,-3.82,;3.85,-5.36,;5.19,-3.05,;6.52,-3.82,;6.52,-5.36,;7.85,-6.13,;9.19,-5.36,;10.52,-6.13,;9.19,-3.82,;10.52,-3.05,;7.85,-3.05,)| | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141914
(US8921559, 1a | US8921559, 1b | US8921559, 2b)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;-.82,-3.43,;.52,-4.2,;1.85,-3.43,;1.85,-1.89,;.52,-1.12,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;11.19,-4.2,;9.85,-1.89,;8.52,-1.12,;8.52,.42,;7.19,-1.89,)| | PDB
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UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
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| US Patent
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141914
(US8921559, 1a | US8921559, 1b | US8921559, 2b)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;-.82,-3.43,;.52,-4.2,;1.85,-3.43,;1.85,-1.89,;.52,-1.12,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;11.19,-4.2,;9.85,-1.89,;8.52,-1.12,;8.52,.42,;7.19,-1.89,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141933
(US8921559, 26)Show SMILES OC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |r,wU:5.4,wD:8.11,(-.8,1.21,;-2.13,.44,;-3.46,1.21,;-2.13,-1.1,;-3.46,-1.87,;-4.8,-1.1,;-6.13,-1.87,;-7.47,-1.1,;-7.47,.44,;-6.13,1.21,;-4.8,.44,;-8.8,1.21,;-10.24,.66,;-11.21,1.85,;-10.37,3.14,;-10.77,4.63,;-9.68,5.72,;-8.19,5.32,;-7.79,3.84,;-8.88,2.75,;-.8,-1.87,;-.8,-3.41,;.54,-4.18,;1.87,-3.41,;1.87,-1.87,;.54,-1.1,;3.2,-4.18,;3.2,-5.72,;4.54,-3.41,;5.87,-4.18,;7.21,-3.41,;7.21,-1.87,;8.54,-1.1,;8.54,.44,;9.87,-1.87,;11.21,-1.1,;9.87,-3.41,;11.21,-4.18,;8.54,-4.18,)| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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UniProtKB/SwissProt
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| CHEMBL
PC cid
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UniChem
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| US Patent
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
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UniChem
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| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
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| US Patent
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141944
(US8921559, 39a | US8921559, 39b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141945
(US8921559, 40)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccncc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |(-.15,1.57,;-1.48,.8,;-2.82,1.57,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-.15,-1.51,;1.18,-.74,;2.52,-1.51,;2.52,-3.05,;1.18,-3.82,;-.15,-3.05,;3.85,-3.82,;3.85,-5.36,;5.19,-3.05,;6.52,-3.82,;6.52,-5.36,;7.85,-6.13,;9.19,-5.36,;10.52,-6.13,;9.19,-3.82,;10.52,-3.05,;7.85,-3.05,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141926
(US8921559, 19)Show SMILES CCOC(=O)c1cccc(NC(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)c1 |(12.52,-3.82,;11.19,-3.05,;9.85,-3.82,;8.52,-3.05,;8.52,-1.51,;7.19,-3.82,;7.19,-5.36,;5.85,-6.13,;4.52,-5.36,;4.52,-3.82,;3.19,-3.05,;1.85,-3.82,;1.85,-5.36,;.52,-3.05,;-.82,-3.82,;-2.15,-3.05,;-2.15,-1.51,;-.82,-.74,;.52,-1.51,;-3.48,-.74,;-4.82,-1.51,;-6.15,-.74,;-7.48,-1.51,;-8.82,-.74,;-8.82,.8,;-7.48,1.57,;-6.15,.8,;-10.15,1.57,;-11.62,1.1,;-12.52,2.34,;-11.62,3.59,;-11.94,5.1,;-10.79,6.13,;-9.33,5.65,;-9.01,4.14,;-10.15,3.11,;-3.48,.8,;-2.15,1.57,;-4.82,1.57,;5.85,-3.05,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141920
(US8921559, 10)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cccc(c1)C(F)(F)F |(-1.61,1.22,;-2.95,.44,;-4.28,1.22,;-2.95,-1.09,;-4.28,-1.87,;-5.61,-1.09,;-6.95,-1.87,;-8.28,-1.09,;-8.28,.44,;-6.95,1.22,;-5.61,.44,;-9.61,1.22,;-11.08,.74,;-11.98,1.98,;-11.08,3.23,;-11.4,4.74,;-10.25,5.77,;-8.79,5.29,;-8.47,3.79,;-9.61,2.75,;-1.61,-1.87,;-1.61,-3.4,;-.28,-4.17,;1.06,-3.4,;1.06,-1.87,;-.28,-1.09,;2.39,-4.17,;2.39,-5.71,;3.72,-3.4,;5.06,-4.17,;6.39,-3.4,;6.39,-1.87,;7.72,-1.09,;9.06,-1.87,;9.17,-3.48,;7.72,-4.17,;10.5,-4.26,;11.83,-5.03,;9.73,-5.59,;11.28,-2.93,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141946
(US8921559, 41)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccncc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141947
(US8921559, 42)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |(-.15,1.57,;-1.48,.8,;-2.82,1.57,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-.15,-1.51,;1.18,-.74,;2.52,-1.51,;2.52,-3.05,;1.18,-3.82,;-.15,-3.05,;3.85,-3.82,;3.85,-5.36,;5.19,-3.05,;6.52,-3.82,;6.52,-5.36,;7.85,-6.13,;9.19,-5.36,;10.52,-6.13,;9.19,-3.82,;10.52,-3.05,;7.85,-3.05,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141922
(US8921559, 12)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc2CCCc2c1 |(-1.33,1.19,;-2.67,.42,;-4,1.19,;-2.67,-1.12,;-4,-1.89,;-5.33,-1.12,;-6.67,-1.89,;-8,-1.12,;-8,.42,;-6.67,1.19,;-5.33,.42,;-9.34,1.19,;-10.8,.71,;-11.71,1.96,;-10.8,3.2,;-11.12,4.71,;-9.98,5.74,;-8.51,5.27,;-8.19,3.76,;-9.34,2.73,;-1.33,-1.89,;-1.33,-3.43,;,-4.2,;1.33,-3.43,;1.33,-1.89,;,-1.12,;2.67,-4.2,;2.67,-5.74,;4,-3.43,;5.33,-4.2,;6.67,-3.43,;6.67,-1.89,;8,-1.12,;9.34,-1.89,;10.8,-1.42,;11.71,-2.66,;10.8,-3.91,;9.34,-3.43,;8,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141948
(US8921559, 43)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)\C=C\c1ccccc1 |r,wU:5.4,wD:8.11,(-.15,1.19,;-1.48,.42,;-2.82,1.19,;-1.48,-1.12,;-2.82,-1.89,;-4.15,-1.12,;-5.48,-1.89,;-6.82,-1.12,;-6.82,.42,;-5.48,1.19,;-4.15,.42,;-8.15,1.19,;-9.62,.71,;-10.52,1.96,;-9.62,3.2,;-9.94,4.71,;-8.79,5.74,;-7.33,5.27,;-7.01,3.76,;-8.15,2.73,;-.15,-1.89,;1.18,-1.12,;2.52,-1.89,;2.52,-3.43,;1.18,-4.2,;-.15,-3.43,;3.85,-4.2,;3.85,-5.74,;5.19,-3.43,;6.52,-4.2,;7.85,-3.43,;9.19,-4.2,;10.52,-3.43,;10.52,-1.89,;9.19,-1.12,;7.85,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141919
(US8921559, 9)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F |(-.82,2.34,;-2.15,1.57,;-3.48,2.34,;-2.15,.03,;-3.48,-.74,;-4.82,.03,;-6.15,-.74,;-7.48,.03,;-7.48,1.57,;-6.15,2.34,;-4.82,1.57,;-8.82,2.34,;-10.28,1.87,;-11.19,3.11,;-10.28,4.36,;-10.6,5.87,;-9.46,6.9,;-7.99,6.42,;-7.67,4.91,;-8.82,3.88,;-.82,-.74,;-.82,-2.28,;.52,-3.05,;1.85,-2.28,;1.85,-.74,;.52,.03,;3.19,-3.05,;3.19,-4.59,;4.52,-2.28,;5.85,-3.05,;5.85,-4.59,;7.19,-5.36,;8.52,-4.59,;8.52,-3.05,;7.19,-2.28,;9.85,-5.36,;11.19,-4.59,;9.85,-6.9,;9.85,-3.82,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141950
(US8921559, 45)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141949
(US8921559, 44)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ncccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141923
(US8921559, 15)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc2OCCc2c1 |(-.72,1.19,;-2.05,.42,;-3.39,1.19,;-2.05,-1.12,;-3.39,-1.89,;-4.72,-1.12,;-6.06,-1.89,;-7.39,-1.12,;-7.39,.42,;-6.06,1.19,;-4.72,.42,;-8.72,1.19,;-10.19,.71,;-11.09,1.96,;-10.19,3.2,;-10.51,4.71,;-9.36,5.74,;-7.9,5.27,;-7.58,3.76,;-8.72,2.73,;-.72,-1.89,;-.72,-3.43,;.61,-4.2,;1.95,-3.43,;1.95,-1.89,;.61,-1.12,;3.28,-4.2,;3.28,-5.74,;4.61,-3.43,;5.95,-4.2,;7.28,-3.43,;8.61,-4.2,;9.95,-3.43,;9.95,-1.89,;11.09,-.86,;10.47,.55,;8.93,.38,;8.61,-1.12,;7.28,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141924
(US8921559, 16)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F |(-.82,1.57,;-2.15,.8,;-3.48,1.57,;-2.15,-.74,;-3.48,-1.51,;-4.82,-.74,;-6.15,-1.51,;-7.48,-.74,;-7.48,.8,;-6.15,1.57,;-4.82,.8,;-8.82,1.57,;-10.28,1.1,;-11.19,2.34,;-10.28,3.59,;-10.6,5.1,;-9.46,6.13,;-7.99,5.65,;-7.67,4.14,;-8.82,3.11,;-.82,-1.51,;-.82,-3.05,;.52,-3.82,;1.85,-3.05,;1.85,-1.51,;.52,-.74,;3.19,-3.82,;3.19,-5.36,;4.52,-3.05,;5.85,-3.82,;5.85,-5.36,;7.19,-6.13,;8.52,-5.36,;8.52,-3.82,;7.19,-3.05,;9.85,-3.05,;11.19,-3.82,;9.85,-1.51,;11.19,-2.28,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141925
(US8921559, 17)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc2OC(F)(F)Oc2c1 |(-1.07,1.19,;-2.41,.42,;-3.74,1.19,;-2.41,-1.12,;-3.74,-1.89,;-5.08,-1.12,;-6.41,-1.89,;-7.74,-1.12,;-7.74,.42,;-6.41,1.19,;-5.08,.42,;-9.08,1.19,;-10.54,.71,;-11.45,1.96,;-10.54,3.2,;-10.86,4.71,;-9.72,5.74,;-8.25,5.27,;-7.93,3.76,;-9.08,2.73,;-1.07,-1.89,;-1.07,-3.43,;.26,-4.2,;1.59,-3.43,;1.59,-1.89,;.26,-1.12,;2.93,-4.2,;2.93,-5.74,;4.26,-3.43,;5.59,-4.2,;6.93,-3.43,;8.26,-4.2,;9.6,-3.43,;9.6,-1.89,;10.74,-.86,;10.11,.55,;11.45,1.32,;9.71,2.03,;8.58,.39,;8.26,-1.12,;6.93,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141914
(US8921559, 1a | US8921559, 1b | US8921559, 2b)Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;-.82,-3.43,;.52,-4.2,;1.85,-3.43,;1.85,-1.89,;.52,-1.12,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;11.19,-4.2,;9.85,-1.89,;8.52,-1.12,;8.52,.42,;7.19,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141932
(US8921559, 25)Show SMILES OC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,wU:5.4,wD:8.11,(-.8,1.21,;-2.13,.44,;-3.46,1.21,;-2.13,-1.1,;-3.46,-1.87,;-4.8,-1.1,;-6.13,-1.87,;-7.47,-1.1,;-7.47,.44,;-6.13,1.21,;-4.8,.44,;-8.8,1.21,;-10.24,.66,;-11.21,1.85,;-10.37,3.14,;-10.77,4.63,;-9.68,5.72,;-8.19,5.32,;-7.79,3.84,;-8.88,2.75,;-.8,-1.87,;-.8,-3.41,;.54,-4.18,;1.87,-3.41,;1.87,-1.87,;.54,-1.1,;3.2,-4.18,;3.2,-5.72,;4.54,-3.41,;5.87,-4.18,;7.21,-3.41,;7.21,-1.87,;8.54,-1.1,;8.54,.44,;9.87,-1.87,;9.87,-3.41,;11.21,-4.18,;8.54,-4.18,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141934
(US8921559, 27)Show SMILES OC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wU:5.4,wD:8.11,(-.13,1.59,;-1.46,.82,;-2.8,1.59,;-1.46,-.72,;-2.8,-1.49,;-4.13,-.72,;-5.47,-1.49,;-6.8,-.72,;-6.8,.82,;-5.47,1.59,;-4.13,.82,;-8.13,1.59,;-9.57,1.04,;-10.54,2.24,;-9.7,3.53,;-10.1,5.02,;-9.01,6.11,;-7.52,5.71,;-7.12,4.22,;-8.21,3.13,;-.13,-1.49,;-.13,-3.03,;1.2,-3.8,;2.54,-3.03,;2.54,-1.49,;1.2,-.72,;3.87,-3.8,;3.87,-5.34,;5.2,-3.03,;6.54,-3.8,;6.54,-5.34,;7.87,-6.11,;9.21,-5.34,;10.54,-6.11,;9.21,-3.8,;10.54,-3.03,;7.87,-3.03,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141921
(US8921559, 11)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(-1.61,1.98,;-2.94,1.21,;-4.27,1.98,;-2.94,-.33,;-4.27,-1.1,;-5.61,-.33,;-6.94,-1.1,;-8.27,-.33,;-8.27,1.21,;-6.94,1.98,;-5.61,1.21,;-9.61,1.98,;-11.07,1.5,;-11.98,2.75,;-11.07,3.99,;-11.39,5.5,;-10.25,6.53,;-8.78,6.06,;-8.46,4.55,;-9.61,3.52,;-1.61,-1.1,;-1.61,-2.64,;-.27,-3.41,;1.06,-2.64,;1.06,-1.1,;-.27,-.33,;2.4,-3.41,;2.4,-4.95,;3.73,-2.64,;5.06,-3.41,;5.06,-4.95,;6.4,-5.72,;7.73,-4.95,;9.06,-5.72,;9.06,-7.26,;9.06,-8.8,;7.52,-7.26,;10.6,-7.26,;7.73,-3.41,;6.4,-2.64,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141935
(US8921559, 28)Show SMILES OC(=O)C(N[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r,wU:5.4,8.11,(-.13,1.59,;-1.46,.82,;-2.8,1.59,;-1.46,-.72,;-2.8,-1.49,;-4.13,-.72,;-5.47,-1.49,;-6.8,-.72,;-6.8,.82,;-5.47,1.59,;-4.13,.82,;-8.13,1.59,;-9.57,1.04,;-10.54,2.24,;-9.7,3.53,;-10.1,5.02,;-9.01,6.11,;-7.52,5.71,;-7.12,4.22,;-8.21,3.13,;-.13,-1.49,;-.13,-3.03,;1.2,-3.8,;2.54,-3.03,;2.54,-1.49,;1.2,-.72,;3.87,-3.8,;3.87,-5.34,;5.2,-3.03,;6.54,-3.8,;6.54,-5.34,;7.87,-6.11,;9.21,-5.34,;10.54,-6.11,;9.21,-3.8,;10.54,-3.03,;7.87,-3.03,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141951
(US8921559, 46)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ncccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141927
(US8921559, 20)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1cccc(F)c1 |(-.15,1.57,;-1.48,.8,;-2.82,1.57,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-.15,-1.51,;-.15,-3.05,;1.18,-3.82,;2.52,-3.05,;2.52,-1.51,;1.18,-.74,;3.85,-3.82,;3.85,-5.36,;5.19,-3.05,;6.52,-3.82,;6.52,-5.36,;7.85,-6.13,;9.19,-5.36,;9.19,-3.82,;10.52,-3.05,;7.85,-3.05,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141931
(US8921559, 24)Show SMILES COC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,wU:6.5,wD:9.12,(.54,.44,;-.8,1.21,;-2.13,.44,;-3.46,1.21,;-2.13,-1.1,;-3.46,-1.87,;-4.8,-1.1,;-6.13,-1.87,;-7.47,-1.1,;-7.47,.44,;-6.13,1.21,;-4.8,.44,;-8.8,1.21,;-10.24,.66,;-11.21,1.85,;-10.37,3.14,;-10.77,4.63,;-9.68,5.72,;-8.19,5.32,;-7.79,3.84,;-8.88,2.75,;-.8,-1.87,;-.8,-3.41,;.54,-4.18,;1.87,-3.41,;1.87,-1.87,;.54,-1.1,;3.2,-4.18,;3.2,-5.72,;4.54,-3.41,;5.87,-4.18,;7.21,-3.41,;7.21,-1.87,;8.54,-1.1,;8.54,.44,;9.87,-1.87,;9.87,-3.41,;11.21,-4.18,;8.54,-4.18,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141952
(US8921559, 47a | US8921559, 47b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccncc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;9.85,-1.89,;11.19,-1.12,;8.52,-1.12,;7.19,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141943
(US8921559, 37)Show SMILES NC(=O)C(N[C@H]1CC[C@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |r,wU:5.4,8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141918
(US8921559, 4a | US8921559, 4b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |(-.15,1.57,;-1.48,.8,;-2.82,1.57,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-.15,-1.51,;-.15,-3.05,;1.18,-3.82,;2.52,-3.05,;2.52,-1.51,;1.18,-.74,;3.85,-3.82,;3.85,-5.36,;5.19,-3.05,;6.52,-3.82,;6.52,-5.36,;7.85,-6.13,;9.19,-5.36,;10.52,-6.13,;9.19,-3.82,;10.52,-3.05,;7.85,-3.05,)| | PDB
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| US Patent
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141928
(US8921559, 22)Show SMILES CCOC(=O)c1ccc(NC(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3ccccc23)C(N)=O)cc1 |(12.54,-4.57,;11.21,-5.34,;9.87,-4.57,;8.54,-5.34,;8.54,-6.88,;7.2,-4.57,;5.87,-5.34,;4.54,-4.57,;4.54,-3.03,;3.2,-2.26,;1.87,-3.03,;1.87,-4.57,;.54,-2.26,;-.8,-3.03,;-2.13,-2.26,;-2.13,-.72,;-.8,.05,;.54,-.72,;-3.46,.05,;-4.8,-.72,;-6.13,.05,;-7.47,-.72,;-8.8,.05,;-8.8,1.59,;-7.47,2.36,;-6.13,1.59,;-10.13,2.36,;-11.57,1.81,;-12.54,3.01,;-11.7,4.3,;-12.1,5.79,;-11.01,6.88,;-9.52,6.48,;-9.12,4.99,;-10.21,3.9,;-3.46,1.59,;-2.13,2.36,;-4.8,2.36,;5.87,-2.26,;7.2,-3.03,)| | PDB
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| n/a | n/a | 553 | n/a | n/a | n/a | n/a | n/a | 37 |
Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141953
(US8921559, 48)Show SMILES Cc1cccc(NC(=O)N2CCC(CC2)C(NC2CCC(CC2)c2c[nH]c3cccnc23)C(N)=O)c1 |(10.52,-3.05,;9.19,-3.82,;9.19,-5.36,;7.85,-6.13,;6.52,-5.36,;6.52,-3.82,;5.19,-3.05,;3.85,-3.82,;3.85,-5.36,;2.52,-3.05,;2.52,-1.51,;1.18,-.74,;-.15,-1.51,;-.15,-3.05,;1.18,-3.82,;-1.48,-.74,;-2.82,-1.51,;-4.15,-.74,;-5.48,-1.51,;-6.82,-.74,;-6.82,.8,;-5.48,1.57,;-4.15,.8,;-8.15,1.57,;-9.62,1.1,;-10.52,2.34,;-9.62,3.59,;-9.94,5.1,;-8.79,6.13,;-7.33,5.65,;-7.01,4.14,;-8.15,3.11,;-1.48,.8,;-.15,1.57,;-2.82,1.57,;7.85,-3.05,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141944
(US8921559, 39a | US8921559, 39b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2cccnc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;7.19,-1.89,;8.52,-1.12,;8.52,.42,;9.85,-1.89,;11.19,-1.12,;9.85,-3.43,;11.19,-4.2,;8.52,-4.2,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141929
(US8921559, 23)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc2OCCOc2c1 |(-1.46,1.21,;-2.8,.44,;-4.13,1.21,;-2.8,-1.1,;-4.13,-1.87,;-5.47,-1.1,;-6.8,-1.87,;-8.13,-1.1,;-8.13,.44,;-6.8,1.21,;-5.47,.44,;-9.47,1.21,;-10.9,.66,;-11.87,1.85,;-11.03,3.14,;-11.43,4.63,;-10.34,5.72,;-8.86,5.32,;-8.46,3.84,;-9.55,2.75,;-1.46,-1.87,;-1.46,-3.41,;-.13,-4.18,;1.2,-3.41,;1.2,-1.87,;-.13,-1.1,;2.54,-4.18,;2.54,-5.72,;3.87,-3.41,;5.2,-4.18,;6.54,-3.41,;6.54,-1.87,;7.87,-1.1,;9.21,-1.87,;10.54,-1.1,;11.87,-1.87,;11.87,-3.41,;10.54,-4.18,;9.21,-3.41,;7.87,-4.18,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141952
(US8921559, 47a | US8921559, 47b)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccncc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)cc1 |(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;.52,-1.12,;1.85,-1.89,;1.85,-3.43,;.52,-4.2,;-.82,-3.43,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;9.85,-1.89,;11.19,-1.12,;8.52,-1.12,;7.19,-1.89,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
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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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM141936
(US8921559, 29)Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)Nc1ccc(F)cc1 |(-.13,1.59,;-1.46,.82,;-2.8,1.59,;-1.46,-.72,;-2.8,-1.49,;-4.13,-.72,;-5.46,-1.49,;-6.8,-.72,;-6.8,.82,;-5.46,1.59,;-4.13,.82,;-8.13,1.59,;-9.57,1.04,;-10.54,2.24,;-9.7,3.53,;-10.1,5.02,;-9.01,6.11,;-7.52,5.71,;-7.12,4.22,;-8.21,3.13,;-.13,-1.49,;-.13,-3.03,;1.2,-3.8,;2.54,-3.03,;2.54,-1.49,;1.2,-.72,;3.87,-3.8,;3.87,-5.34,;5.2,-3.03,;6.54,-3.8,;6.54,-5.34,;7.87,-6.11,;9.21,-5.34,;10.54,-6.11,;9.21,-3.8,;7.87,-3.03,)| | PDB
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Janssen Pharmaceutica NV
US Patent
| Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,... |
US Patent US8921559 (2014)
BindingDB Entry DOI: 10.7270/Q270804M |
More data for this
Ligand-Target Pair | |
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