Found 25 hits with Last Name = 'fakhri' and Initial = 'k' 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)) | BDBM50197982
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCN(CC)CCCC(NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1)C(C)C |w:8.8| Show InChI InChI=1S/C33H40Cl2N4O2/c1-5-38(6-2)16-9-12-30(23(3)4)36-32(40)15-17-41-33-22-31(26-18-27(34)21-28(35)19-26)37-39(33)29-14-13-24-10-7-8-11-25(24)20-29/h7-8,10-11,13-14,18-23,30H,5-6,9,12,15-17H2,1-4H3,(H,36,40) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197996
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10| Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39) | PDB
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| Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197988
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCNc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39) | PDB
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| Article
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| n/a | n/a | 30.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416371
(CHEMBL1210728)Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C30H33Cl2N7O3/c1-42-29(41)26(7-4-11-36-30(33)34)37-28(40)10-12-35-18-25-17-27(21-13-22(31)16-23(32)14-21)38-39(25)24-9-8-19-5-2-3-6-20(19)15-24/h2-3,5-6,8-9,13-17,26,35H,4,7,10-12,18H2,1H3,(H,37,40)(H4,33,34,36)/t26-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 43.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197978
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:3.11| Show InChI InChI=1S/C33H40Cl2N4O2/c1-4-10-29(13-9-17-38(5-2)6-3)36-32(40)16-18-41-33-23-31(26-19-27(34)22-28(35)20-26)37-39(33)30-15-14-24-11-7-8-12-25(24)21-30/h7-8,11-12,14-15,19-23,29H,4-6,9-10,13,16-18H2,1-3H3,(H,36,40) | PDB
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PubMed
| n/a | n/a | 44.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416367
(CHEMBL396622)Show SMILES CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:4.12| Show InChI InChI=1S/C34H42Cl2N4O2/c1-4-7-13-30(14-10-18-39(5-2)6-3)37-33(41)17-19-42-34-24-32(27-20-28(35)23-29(36)21-27)38-40(34)31-16-15-25-11-8-9-12-26(25)22-31/h8-9,11-12,15-16,20-24,30H,4-7,10,13-14,17-19H2,1-3H3,(H,37,41) | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197993
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1 | PDB
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PubMed
| n/a | n/a | 61.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197981
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C31H36Cl2N4O2/c1-4-36(5-2)15-8-9-22(3)34-30(38)14-16-39-31-21-29(25-17-26(32)20-27(33)18-25)35-37(31)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22H,4-5,8-9,14-16H2,1-3H3,(H,34,38) | PDB
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| Article
PubMed
| n/a | n/a | 66.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197999
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12| Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41) | PDB
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PubMed
| n/a | n/a | 74.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197991
(3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2| Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42) | PDB
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| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416370
(CHEMBL1210670)Show SMILES CCN(CC)C(C)CCCNC(=O)CCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C31H36Cl2N4O/c1-4-36(5-2)22(3)9-8-16-34-31(38)15-14-29-21-30(25-17-26(32)20-27(33)18-25)35-37(29)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22H,4-5,8-9,14-16H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197989
(4-(3-(3-chlorophenyl)-1-(naphthalen-2-yl)-1H-pyraz...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cccc(Cl)c1 |w:8.8| Show InChI InChI=1S/C32H39ClN4O/c1-4-36(5-2)20-10-11-24(3)34-32(38)17-9-16-29-23-31(27-14-8-15-28(33)21-27)35-37(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50198000
(CHEMBL391668 | N-(5-(diethylamino)pentan-2-yl)-4-(...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cccc(c1)C(F)(F)F |w:8.8| Show InChI InChI=1S/C33H39F3N4O/c1-4-39(5-2)20-10-11-24(3)37-32(41)17-9-16-29-23-31(27-14-8-15-28(21-27)33(34,35)36)38-40(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,37,41) | PDB
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| n/a | n/a | 207 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197983
(4-(3-(4-chlorophenyl)-1-(naphthalen-2-yl)-1H-pyraz...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1ccc(Cl)cc1 |w:8.8| Show InChI InChI=1S/C32H39ClN4O/c1-4-36(5-2)21-9-10-24(3)34-32(38)14-8-13-29-23-31(26-15-18-28(33)19-16-26)35-37(29)30-20-17-25-11-6-7-12-27(25)22-30/h6-7,11-12,15-20,22-24H,4-5,8-10,13-14,21H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | 442 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197985
(CHEMBL239569 | N-(5-(diethylamino)pentan-2-yl)-4-(...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cccc(F)c1 |w:8.8| Show InChI InChI=1S/C32H39FN4O/c1-4-36(5-2)20-10-11-24(3)34-32(38)17-9-16-29-23-31(27-14-8-15-28(33)21-27)35-37(29)30-19-18-25-12-6-7-13-26(25)22-30/h6-8,12-15,18-19,21-24H,4-5,9-11,16-17,20H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | 522 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197992
(4-(3-(3,5-bis(trifluoromethyl)phenyl)-1-(naphthale...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:8.8| Show InChI InChI=1S/C34H38F6N4O/c1-4-43(5-2)17-9-10-23(3)41-32(45)14-8-13-29-22-31(26-18-27(33(35,36)37)21-28(19-26)34(38,39)40)42-44(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,41,45) | PDB
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| n/a | n/a | 634 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416369
(CHEMBL1210667)Show SMILES Clc1cc(Cl)cc(c1)-c1cc(CCC(=O)NCCCc2ccncc2)n(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C30H26Cl2N4O/c31-25-16-24(17-26(32)19-25)29-20-28(9-10-30(37)34-13-3-4-21-11-14-33-15-12-21)36(35-29)27-8-7-22-5-1-2-6-23(22)18-27/h1-2,5-8,11-12,14-20H,3-4,9-10,13H2,(H,34,37) | PDB
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| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416372
(CHEMBL1210669)Show SMILES CCN(CC)CCCCNC(=O)CCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H34Cl2N4O/c1-3-35(4-2)16-8-7-15-33-30(37)14-13-28-21-29(24-17-25(31)20-26(32)18-24)34-36(28)27-12-11-22-9-5-6-10-23(22)19-27/h5-6,9-12,17-21H,3-4,7-8,13-16H2,1-2H3,(H,33,37) | PDB
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| Article
PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416366
(CHEMBL1210668)Show SMILES CN(C)CCCCNC(=O)CCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C28H30Cl2N4O/c1-33(2)14-6-5-13-31-28(35)12-11-26-19-27(22-15-23(29)18-24(30)16-22)32-34(26)25-10-9-20-7-3-4-8-21(20)17-25/h3-4,7-10,15-19H,5-6,11-14H2,1-2H3,(H,31,35) | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197998
(CHEMBL239359 | N-(5-(diethylamino)pentan-2-yl)-4-(...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cccc(OC)c1 |w:8.8| Show InChI InChI=1S/C33H42N4O2/c1-5-36(6-2)21-11-12-25(3)34-33(38)18-10-16-29-24-32(28-15-9-17-31(23-28)39-4)35-37(29)30-20-19-26-13-7-8-14-27(26)22-30/h7-9,13-15,17,19-20,22-25H,5-6,10-12,16,18,21H2,1-4H3,(H,34,38) | PDB
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| n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416368
(CHEMBL1210603)Show SMILES COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C29H25Cl2N5O3/c1-39-29(38)27(14-23-16-32-17-33-23)34-28(37)9-8-25-15-26(20-10-21(30)13-22(31)11-20)35-36(25)24-7-6-18-4-2-3-5-19(18)12-24/h2-7,10-13,15-17,27H,8-9,14H2,1H3,(H,32,33)(H,34,37)/t27-/m0/s1 | PDB
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| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197986
((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H30Cl2N6O3/c1-40-28(39)25(7-4-12-34-29(32)33)35-27(38)11-10-24-17-26(20-13-21(30)16-22(31)14-20)36-37(24)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,25H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t25-/m0/s1 | PDB
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| n/a | n/a | 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197980
(4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...)Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39) | PDB
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| n/a | n/a | 6.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50197987
((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...)Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N6O4/c1-41-29(40)25(8-4-12-35-30(33)34)36-27(39)9-5-13-42-28-18-26(21-14-22(31)17-23(32)15-21)37-38(28)24-11-10-19-6-2-3-7-20(19)16-24/h2-3,6-7,10-11,14-18,25H,4-5,8-9,12-13H2,1H3,(H,36,39)(H4,33,34,35)/t25-/m0/s1 | PDB
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| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50416365
(CHEMBL1210604)Show SMILES Clc1cc(Cl)cc(c1)-c1cc(CCC(=O)NCCCc2ccc3CCCNc3n2)n(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C33H31Cl2N5O/c34-26-17-25(18-27(35)20-26)31-21-30(40(39-31)29-12-10-22-5-1-2-6-24(22)19-29)13-14-32(41)36-15-4-8-28-11-9-23-7-3-16-37-33(23)38-28/h1-2,5-6,9-12,17-21H,3-4,7-8,13-16H2,(H,36,41)(H,37,38) | PDB
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| n/a | n/a | 9.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tehran University of Medical Sciences
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 |
Eur J Med Chem 45: 3394-406 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.024
BindingDB Entry DOI: 10.7270/Q2JQ1275 |
More data for this
Ligand-Target Pair | |
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