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Patent code US10213421

Compile Data Set for Download or QSAR
Found 10 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 3


(Homo sapiens (Human))
BDBM123096
PNG
(US10213421, Example 10 | US8742115, 36)
Show SMILES CCN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C28H36ClN5O3/c1-5-32(4)28(37)21-15-19(3)30-25(16-21)31-27(36)24-8-9-26(35)34(24)22-10-12-33(13-11-22)17-20-6-7-23(29)18(2)14-20/h6-7,14-16,22,24H,5,8-13,17H2,1-4H3,(H,30,31,36)/t24-/m1/s1
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US Patent
1.70n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123082
PNG
(US10213421, Example 8 | US8742115, 22)
Show SMILES CC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t25-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123072
PNG
(US10213421, Example 2 | US8742115, 11)
Show SMILES CN(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C27H34ClN5O3/c1-17-13-19(5-6-22(17)28)16-32-11-9-21(10-12-32)33-23(7-8-25(33)34)26(35)30-24-15-20(14-18(2)29-24)27(36)31(3)4/h5-6,13-15,21,23H,7-12,16H2,1-4H3,(H,29,30,35)/t23-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123076
PNG
(US10213421, Example 3 | US8742115, 15)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H36ClN5O3/c1-18-13-21(5-6-24(18)30)17-34-11-9-23(10-12-34)35-25(7-8-27(35)36)29(38)33-26-15-22(14-19(2)32-26)28(37)31-16-20-3-4-20/h5-6,13-15,20,23,25H,3-4,7-12,16-17H2,1-2H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123080
PNG
(US10213421, Example 6 | US8742115, 19)
Show SMILES CCC(C)NC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-5-19(3)32-28(37)22-15-20(4)31-26(16-22)33-29(38)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)18(2)14-21/h6-7,14-16,19,23,25H,5,8-13,17H2,1-4H3,(H,32,37)(H,31,33,38)/t19?,25-/m1/s1
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4n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123083
PNG
(US10213421, Example 9 | US8742115, 23)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NC1CCC1
Show InChI InChI=1S/C29H36ClN5O3/c1-18-14-20(6-7-24(18)30)17-34-12-10-23(11-13-34)35-25(8-9-27(35)36)29(38)33-26-16-21(15-19(2)31-26)28(37)32-22-4-3-5-22/h6-7,14-16,22-23,25H,3-5,8-13,17H2,1-2H3,(H,32,37)(H,31,33,38)/t25-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123078
PNG
(US10213421, Example 4 | US8742115, 17)
Show SMILES CC(C)CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C29H38ClN5O3/c1-18(2)16-31-28(37)22-14-20(4)32-26(15-22)33-29(38)25-7-8-27(36)35(25)23-9-11-34(12-10-23)17-21-5-6-24(30)19(3)13-21/h5-6,13-15,18,23,25H,7-12,16-17H2,1-4H3,(H,31,37)(H,32,33,38)/t25-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123079
PNG
(US10213421, Example 5 | US8742115, 18)
Show SMILES Cc1cc(cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1)C(=O)NCC(F)F
Show InChI InChI=1S/C27H32ClF2N5O3/c1-16-11-18(3-4-21(16)28)15-34-9-7-20(8-10-34)35-22(5-6-25(35)36)27(38)33-24-13-19(12-17(2)32-24)26(37)31-14-23(29)30/h3-4,11-13,20,22-23H,5-10,14-15H2,1-2H3,(H,31,37)(H,32,33,38)/t22-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123081
PNG
(US10213421, Example 7 | US8742115, 21)
Show SMILES CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C30H40ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38)/t21?,26-/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM123068
PNG
(US10213421, Example 1 | US8742115, 7)
Show SMILES CNC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1
Show InChI InChI=1S/C26H32ClN5O3/c1-16-12-18(4-5-21(16)27)15-31-10-8-20(9-11-31)32-22(6-7-24(32)33)26(35)30-23-14-19(25(34)28-3)13-17(2)29-23/h4-5,12-14,20,22H,6-11,15H2,1-3H3,(H,28,34)(H,29,30,35)/t22-/m1/s1
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10.4n/an/an/an/an/an/an/an/a



Alkahest, Inc.

US Patent


Assay Description
Assay is described in WO 2010 115836.


US Patent US10213421 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%