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PubMed code 24900677

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50428327
PNG
(CHEMBL2338392)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(CF)nc(Nc2ccc(Cl)c(Cl)c2)c1C |r|
Show InChI InChI=1S/C24H30Cl2FN5O3/c1-14-22(30-21(12-27)31-23(14)29-16-3-4-17(25)18(26)11-16)24(33)32-8-5-15(6-9-32)28-19-7-10-35-13-20(19)34-2/h3-4,11,15,19-20,28H,5-10,12-13H2,1-2H3,(H,29,30,31)/t19-,20+/m0/s1
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 0.600n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50428328
PNG
(CHEMBL2338391)
Show SMILES Cc1c(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)nc(nc1C(=O)N1CCC(CC1)N[C@H]1CCOC[C@H]1F)C1CCOCC1 |r|
Show InChI InChI=1S/C34H45F4N5O4/c1-21-30(33(44)43-14-9-25(10-15-43)40-28-13-18-46-20-27(28)35)41-32(23-11-16-45-17-12-23)42-31(21)39-19-26-3-2-4-29(47-26)22-5-7-24(8-6-22)34(36,37)38/h5-8,23,25-29,40H,2-4,9-20H2,1H3,(H,39,41,42)/t26-,27-,28+,29+/m1/s1
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 1n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50428326
PNG
(CHEMBL2338393)
Show SMILES Cc1cc(no1)-c1nc(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)c(C)c(n1)C(=O)N1CCC(CC1)N[C@@H]1CCOC[C@@H]1F |r|
Show InChI InChI=1S/C33H40F4N6O4/c1-19-16-27(42-47-19)31-40-29(32(44)43-13-10-23(11-14-43)39-26-12-15-45-18-25(26)34)20(2)30(41-31)38-17-24-4-3-5-28(46-24)21-6-8-22(9-7-21)33(35,36)37/h6-9,16,23-26,28,39H,3-5,10-15,17-18H2,1-2H3,(H,38,40,41)/t24-,25+,26-,28+/m1/s1
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 1n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50428329
PNG
(CHEMBL2338390)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(nc(N2CCc3cc(ccc3C2)C(F)(F)F)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F6N5O3/c1-16-23(25(40)38-10-6-20(7-11-38)35-21-8-12-42-15-22(21)41-2)36-26(28(32,33)34)37-24(16)39-9-5-17-13-19(27(29,30)31)4-3-18(17)14-39/h3-4,13,20-22,35H,5-12,14-15H2,1-2H3/t21-,22+/m0/s1
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 2n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from CCR2 in human THP1 cell membranes after 8 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50428327
PNG
(CHEMBL2338392)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(CF)nc(Nc2ccc(Cl)c(Cl)c2)c1C |r|
Show InChI InChI=1S/C24H30Cl2FN5O3/c1-14-22(30-21(12-27)31-23(14)29-16-3-4-17(25)18(26)11-16)24(33)32-8-5-15(6-9-32)28-19-7-10-35-13-20(19)34-2/h3-4,11,15,19-20,28H,5-10,12-13H2,1-2H3,(H,29,30,31)/t19-,20+/m0/s1
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 31n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cell membranes coexpressing Gal6 after 6 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50428326
PNG
(CHEMBL2338393)
Show SMILES Cc1cc(no1)-c1nc(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)c(C)c(n1)C(=O)N1CCC(CC1)N[C@@H]1CCOC[C@@H]1F |r|
Show InChI InChI=1S/C33H40F4N6O4/c1-19-16-27(42-47-19)31-40-29(32(44)43-13-10-23(11-14-43)39-26-12-15-45-18-25(26)34)20(2)30(41-31)38-17-24-4-3-5-28(46-24)21-6-8-22(9-7-21)33(35,36)37/h6-9,16,23-26,28,39H,3-5,10-15,17-18H2,1-2H3,(H,38,40,41)/t24-,25+,26-,28+/m1/s1
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PubMed
 50n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cell membranes coexpressing Gal6 after 6 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50428329
PNG
(CHEMBL2338390)
Show SMILES CO[C@@H]1COCC[C@@H]1NC1CCN(CC1)C(=O)c1nc(nc(N2CCc3cc(ccc3C2)C(F)(F)F)c1C)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F6N5O3/c1-16-23(25(40)38-10-6-20(7-11-38)35-21-8-12-42-15-22(21)41-2)36-26(28(32,33)34)37-24(16)39-9-5-17-13-19(27(29,30)31)4-3-18(17)14-39/h3-4,13,20-22,35H,5-12,14-15H2,1-2H3/t21-,22+/m0/s1
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 150n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cell membranes coexpressing Gal6 after 6 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50428328
PNG
(CHEMBL2338391)
Show SMILES Cc1c(NC[C@H]2CCC[C@H](O2)c2ccc(cc2)C(F)(F)F)nc(nc1C(=O)N1CCC(CC1)N[C@H]1CCOC[C@H]1F)C1CCOCC1 |r|
Show InChI InChI=1S/C34H45F4N5O4/c1-21-30(33(44)43-14-9-25(10-15-43)40-28-13-18-46-20-27(28)35)41-32(23-11-16-45-17-12-23)42-31(21)39-19-26-3-2-4-29(47-26)22-5-7-24(8-6-22)34(36,37)38/h5-8,23,25-29,40H,2-4,9-20H2,1H3,(H,39,41,42)/t26-,27-,28+,29+/m1/s1
PDB

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antibodypedia
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UniChem

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Article
PubMed
 210n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]RANTES from human CCR5 expressed in CHO cell membranes coexpressing Gal6 after 6 hrs by scintillation counting analysis

ACS Med Chem Lett 4: 371-2 (2013)


Article DOI: 10.1021/ml400055e
BindingDB Entry DOI: 10.7270/Q2B859FX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%