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Patent code US8633226

Compile Data Set for Download or QSAR
Found 5 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 1


(Homo sapiens (Human))
BDBM113726
PNG
(US8633226, 850)
Show SMILES CC(C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C22H34ClN3O3/c1-14(2)18(25-20(28)24-15(3)4)19(27)26-12-11-22(29,21(5,6)13-26)16-7-9-17(23)10-8-16/h7-10,14-15,18,29H,11-13H2,1-6H3,(H2,24,25,28)/t18-,22+/m1/s1
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US Patent
0.5 -53.1n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)


BindingDB Entry DOI: 10.7270/Q22J69HG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436284
PNG
(CHEMBL2398747 | US8633226, 460)
Show SMILES CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C24H35ClN2O3/c1-16(2)20(26-21(28)17-7-5-6-8-17)22(29)27-14-13-24(30,23(3,4)15-27)18-9-11-19(25)12-10-18/h9-12,16-17,20,30H,5-8,13-15H2,1-4H3,(H,26,28)/t20-,24+/m1/s1
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US Patent
0.700 -52.3n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)


BindingDB Entry DOI: 10.7270/Q22J69HG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM113727
PNG
(US8633226, 897)
Show SMILES CC[C@@H](C)NC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C23H36ClN3O3/c1-7-16(4)25-21(29)26-19(15(2)3)20(28)27-13-12-23(30,22(5,6)14-27)17-8-10-18(24)11-9-17/h8-11,15-16,19,30H,7,12-14H2,1-6H3,(H2,25,26,29)/t16-,19-,23+/m1/s1
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US Patent
2.10 -49.5n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)


BindingDB Entry DOI: 10.7270/Q22J69HG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436285
PNG
(CHEMBL2398743 | US8633226, 466)
Show SMILES CC(C)CC(=O)N[C@H](C(C)C)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C23H35ClN2O3/c1-15(2)13-19(27)25-20(16(3)4)21(28)26-12-11-23(29,22(5,6)14-26)17-7-9-18(24)10-8-17/h7-10,15-16,20,29H,11-14H2,1-6H3,(H,25,27)/t20-,23+/m1/s1
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US Patent
2.60 -49.0n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)


BindingDB Entry DOI: 10.7270/Q22J69HG
More data for this
Ligand-Target Pair
C-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50436259
PNG
(CHEMBL2398716 | US8633226, 1356)
Show SMILES CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 |r|
Show InChI InChI=1S/C23H35ClN2O4/c1-15(2)19(25-18(27)13-22(5,6)29)20(28)26-12-11-23(30,21(3,4)14-26)16-7-9-17(24)10-8-16/h7-10,15,19,29-30H,11-14H2,1-6H3,(H,25,27)/t19-,23+/m1/s1
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US Patent
3.70 -48.1n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
For radioligand competition studies, a final concentration of 1x105 THP-1 monocytic leukemia cells are combined with 100 μg of LS WGA PS beads (...


US Patent US8633226 (2014)


BindingDB Entry DOI: 10.7270/Q22J69HG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%