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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50315994   
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))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCP1 from CCR2 in human THP1 cells after 30 mins


Bioorg Med Chem Lett 20: 2425-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.035
BindingDB Entry DOI: 10.7270/Q2ZK5GTM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP-1 from CCR2 in human PMBC


Bioorg Med Chem Lett 22: 1384-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.057
BindingDB Entry DOI: 10.7270/Q2DJ5G2F
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 0.800n/an/an/an/an/a25



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis after 45 mins in presence of 0.1 M bovine serum albumin


Bioorg Med Chem Lett 20: 2425-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.035
BindingDB Entry DOI: 10.7270/Q2ZK5GTM
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by FLIPR based flux assay


ACS Med Chem Lett 6: 439-44 (2015)


Article DOI: 10.1021/ml500505q
BindingDB Entry DOI: 10.7270/Q2668FWM
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50315994
PNG
(CHEMBL1091604 | N-(2-((1S,2R,4R)-4-(isopropyl(meth...)
Show SMILES CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)[C@H](CS(=O)(=O)c2ccccc2)C1 |r|
Show InChI InChI=1S/C27H34F3N3O4S/c1-18(2)33(3)22-12-13-24(20(15-22)17-38(36,37)23-10-5-4-6-11-23)32-25(34)16-31-26(35)19-8-7-9-21(14-19)27(28,29)30/h4-11,14,18,20,22,24H,12-13,15-17H2,1-3H3,(H,31,35)(H,32,34)/t20-,22+,24-/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human ERG by FLIPR assay


Bioorg Med Chem Lett 20: 2425-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.035
BindingDB Entry DOI: 10.7270/Q2ZK5GTM
More data for this
Ligand-Target Pair