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Compile Data Set for Download or QSAR

Found 18 hits of ph data with Target = 'btk'   
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
btk


(Homo sapiens (human))
BDBM295012
PNG
(US10112922, Compound 2)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)S(=O)(=O)C=C
Show InChI InChI=1S/C22H23N5O4S/c1-2-32(29,30)26-13-12-16(14-26)27-21(23)19(22(24)28)20(25-27)15-8-10-18(11-9-15)31-17-6-4-3-5-7-17/h2-11,16H,1,12-14,23H2,(H2,24,28)/t16-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295028
PNG
(US10112922, Compound 18)
Show SMILES CC#CC(=O)N[C@H]1CC[C@H](CC1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3/c1-2-6-22(32)29-18-11-13-19(14-12-18)31-25(27)23(26(28)33)24(30-31)17-9-15-21(16-10-17)34-20-7-4-3-5-8-20/h3-5,7-10,15-16,18-19H,11-14,27H2,1H3,(H2,28,33)(H,29,32)/t18-,19+
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295013
PNG
(US10112922, Compound 3)
Show SMILES CN(C)C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H30N6O3/c1-30(2)15-6-9-22(33)31-16-14-19(17-31)32-25(27)23(26(28)34)24(29-32)18-10-12-21(13-11-18)35-20-7-4-3-5-8-20/h3-13,19H,14-17,27H2,1-2H3,(H2,28,34)/b9-6+/t19-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295014
PNG
(US10112922, Compound 4)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCOCC1
Show InChI InChI=1S/C28H32N6O4/c29-27-25(28(30)36)26(20-8-10-23(11-9-20)38-22-5-2-1-3-6-22)31-34(27)21-12-14-33(19-21)24(35)7-4-13-32-15-17-37-18-16-32/h1-11,21H,12-19,29H2,(H2,30,36)/b7-4+/t21-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295015
PNG
(US10112922, Compound 5)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCCC1
Show InChI InChI=1S/C29H34N6O3/c30-28-26(29(31)37)27(21-11-13-24(14-12-21)38-23-8-3-1-4-9-23)32-35(28)22-15-19-34(20-22)25(36)10-7-18-33-16-5-2-6-17-33/h1,3-4,7-14,22H,2,5-6,15-20,30H2,(H2,31,37)/b10-7+/t22-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295016
PNG
(US10112922, Compound 6)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CN1CCCC1
Show InChI InChI=1S/C28H32N6O3/c29-27-25(28(30)36)26(20-10-12-23(13-11-20)37-22-7-2-1-3-8-22)31-34(27)21-14-18-33(19-21)24(35)9-6-17-32-15-4-5-16-32/h1-3,6-13,21H,4-5,14-19,29H2,(H2,30,36)/b9-6+/t21-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295017
PNG
(US10112922, Compound 7)
Show SMILES C\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N5O3/c1-2-6-20(30)28-14-13-17(15-28)29-23(25)21(24(26)31)22(27-29)16-9-11-19(12-10-16)32-18-7-4-3-5-8-18/h2-12,17H,13-15,25H2,1H3,(H2,26,31)/b6-2+/t17-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295018
PNG
(US10112922, Compound 8)
Show SMILES CC(C)\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H29N5O3/c1-17(2)8-13-22(32)30-15-14-19(16-30)31-25(27)23(26(28)33)24(29-31)18-9-11-21(12-10-18)34-20-6-4-3-5-7-20/h3-13,17,19H,14-16,27H2,1-2H3,(H2,28,33)/b13-8+/t19-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295019
PNG
(US10112922, Compound 9)
Show SMILES COC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O4/c1-33-15-5-8-21(31)29-14-13-18(16-29)30-24(26)22(25(27)32)23(28-30)17-9-11-20(12-10-17)34-19-6-3-2-4-7-19/h2-12,18H,13-16,26H2,1H3,(H2,27,32)/b8-5+/t18-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295020
PNG
(US10112922, Compound 10)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C\C=C\C(O)=O)C1
Show InChI InChI=1S/C24H25N5O4/c25-23-21(24(26)32)22(16-8-10-19(11-9-16)33-18-5-2-1-3-6-18)27-29(23)17-12-14-28(15-17)13-4-7-20(30)31/h1-11,17H,12-15,25H2,(H2,26,32)(H,30,31)/b7-4+/t17-/m1/s1
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n/an/a<100n/an/an/an/a7.4n/a



Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295021
PNG
(US10112922, Compound 11)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C/C(O)=O
Show InChI InChI=1S/C24H23N5O5/c25-23-21(24(26)33)22(15-6-8-18(9-7-15)34-17-4-2-1-3-5-17)27-29(23)16-12-13-28(14-16)19(30)10-11-20(31)32/h1-11,16H,12-14,25H2,(H2,26,33)(H,31,32)/b11-10-/t16-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295022
PNG
(US10112922, Compound 12)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CBr
Show InChI InChI=1S/C24H24BrN5O3/c25-13-4-7-20(31)29-14-12-17(15-29)30-23(26)21(24(27)32)22(28-30)16-8-10-19(11-9-16)33-18-5-2-1-3-6-18/h1-11,17H,12-15,26H2,(H2,27,32)/b7-4+/t17-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295023
PNG
(US10112922, Compound 13)
Show SMILES CC(=O)OC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O5/c1-17(32)35-15-5-8-22(33)30-14-13-19(16-30)31-25(27)23(26(28)34)24(29-31)18-9-11-21(12-10-18)36-20-6-3-2-4-7-20/h2-12,19H,13-16,27H2,1H3,(H2,28,34)/b8-5+/t19-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295024
PNG
(US10112922, Compound 14)
Show SMILES CS(=O)(=O)NC\C=C\C(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H28N6O5S/c1-37(34,35)28-14-5-8-21(32)30-15-13-18(16-30)31-24(26)22(25(27)33)23(29-31)17-9-11-20(12-10-17)36-19-6-3-2-4-7-19/h2-12,18,28H,13-16,26H2,1H3,(H2,27,33)/b8-5+/t18-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295025
PNG
(US10112922, Compound 15)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)\C=C\CO
Show InChI InChI=1S/C24H25N5O4/c25-23-21(24(26)32)22(16-8-10-19(11-9-16)33-18-5-2-1-3-6-18)27-29(23)17-12-13-28(15-17)20(31)7-4-14-30/h1-11,17,30H,12-15,25H2,(H2,26,32)/b7-4+/t17-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295026
PNG
(US10112922, Compound 16)
Show SMILES CC#CC(=O)N1CC[C@H](C1)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-2-6-20(30)28-14-13-17(15-28)29-23(25)21(24(26)31)22(27-29)16-9-11-19(12-10-16)32-18-7-4-3-5-8-18/h3-5,7-12,17H,13-15,25H2,1H3,(H2,26,31)/t17-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295027
PNG
(US10112922, Compound 17)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCN(C1)C(=O)C#C
Show InChI InChI=1S/C23H21N5O3/c1-2-19(29)27-13-12-16(14-27)28-22(24)20(23(25)30)21(26-28)15-8-10-18(11-9-15)31-17-6-4-3-5-7-17/h1,3-11,16H,12-14,24H2,(H2,25,30)/t16-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair
btk


(Homo sapiens (human))
BDBM295011
PNG
(US10112922, Compound 1)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)S(=O)(=O)C=C
Show InChI InChI=1S/C23H25N5O4S/c1-2-33(30,31)27-14-6-7-17(15-27)28-22(24)20(23(25)29)21(26-28)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,24H2,(H2,25,29)/t17-/m1/s1
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Centaurus BioPharma Co., Ltd.

US Patent


Assay Description
The half inhibition concentrations (IC50 values) of the compounds disclosed herein on Btk were determined at both enzymatic level and cellular level:...


US Patent US10112922 (2018)

More data for this
Ligand-Target Pair