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Compile Data Set for Download or QSAR

Found 50 hits from Carna Biosciences, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM36516
PNG
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
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n/an/a 0.610n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068574
PNG
(CHEMBL3402355)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H49N7O8S/c1-31-39(7-6-8-44(31)59-50(65)32-9-13-34(14-10-32)55(2,3)4)45-30-60(5)52(67)49(58-45)56-35-15-11-33(12-16-35)51(66)61-23-25-62(26-24-61)54(71)57-36-17-20-40(43(27-36)53(68)69)48-41-21-18-37(63)28-46(41)70-47-29-38(64)19-22-42(47)48/h6-22,27-30,63H,23-26H2,1-5H3,(H,56,58)(H,57,71)(H,59,65)(H,68,69)
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n/an/a 0.610n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068542
PNG
(CHEMBL3400826)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C54H49N7O8S/c1-30-38(8-6-9-43(30)60-50(65)32-10-14-33(15-11-32)54(2,3)4)44-29-61(5)51(66)48(59-44)57-34-16-12-31(13-17-34)49(64)55-24-7-25-56-53(70)58-35-18-21-39(42(26-35)52(67)68)47-40-22-19-36(62)27-45(40)69-46-28-37(63)20-23-41(46)47/h6,8-23,26-29,62H,7,24-25H2,1-5H3,(H,55,64)(H,57,59)(H,60,65)(H,67,68)(H2,56,58,70)
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n/an/a 3.20n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068543
PNG
(CHEMBL3402353)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71)
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n/an/a 4.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068595
PNG
(CHEMBL3402356)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1
Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73)
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n/an/a 4.80n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068541
PNG
(CHEMBL3400825)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69)
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n/an/a 5.60n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068544
PNG
(CHEMBL3402354)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCOCCOCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C57H55N7O10S/c1-33-41(7-6-8-46(33)63-53(68)35-9-13-36(14-10-35)57(2,3)4)47-32-64(5)54(69)51(62-47)60-37-15-11-34(12-16-37)52(67)58-23-25-72-27-28-73-26-24-59-56(75)61-38-17-20-42(45(29-38)55(70)71)50-43-21-18-39(65)30-48(43)74-49-31-40(66)19-22-44(49)50/h6-22,29-32,65H,23-28H2,1-5H3,(H,58,67)(H,60,62)(H,63,68)(H,70,71)(H2,59,61,75)
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n/an/a 7.80n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068574
PNG
(CHEMBL3402355)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H49N7O8S/c1-31-39(7-6-8-44(31)59-50(65)32-9-13-34(14-10-32)55(2,3)4)45-30-60(5)52(67)49(58-45)56-35-15-11-33(12-16-35)51(66)61-23-25-62(26-24-61)54(71)57-36-17-20-40(43(27-36)53(68)69)48-41-21-18-37(63)28-46(41)70-47-29-38(64)19-22-42(47)48/h6-22,27-30,63H,23-26H2,1-5H3,(H,56,58)(H,57,71)(H,59,65)(H,68,69)
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n/an/a 69n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM36516
PNG
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
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n/an/a 81n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068543
PNG
(CHEMBL3402353)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71)
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n/an/a 189n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068542
PNG
(CHEMBL3400826)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C54H49N7O8S/c1-30-38(8-6-9-43(30)60-50(65)32-10-14-33(15-11-32)54(2,3)4)44-29-61(5)51(66)48(59-44)57-34-16-12-31(13-17-34)49(64)55-24-7-25-56-53(70)58-35-18-21-39(42(26-35)52(67)68)47-40-22-19-36(62)27-45(40)69-46-28-37(63)20-23-41(46)47/h6,8-23,26-29,62H,7,24-25H2,1-5H3,(H,55,64)(H,57,59)(H,60,65)(H,67,68)(H2,56,58,70)
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n/an/a 208n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068541
PNG
(CHEMBL3400825)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69)
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n/an/a 290n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068544
PNG
(CHEMBL3402354)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCOCCOCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C57H55N7O10S/c1-33-41(7-6-8-46(33)63-53(68)35-9-13-36(14-10-35)57(2,3)4)47-32-64(5)54(69)51(62-47)60-37-15-11-34(12-16-37)52(67)58-23-25-72-27-28-73-26-24-59-56(75)61-38-17-20-42(45(29-38)55(70)71)50-43-21-18-39(65)30-48(43)74-49-31-40(66)19-22-44(49)50/h6-22,29-32,65H,23-28H2,1-5H3,(H,58,67)(H,60,62)(H,63,68)(H,70,71)(H2,59,61,75)
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n/an/a 305n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068595
PNG
(CHEMBL3402356)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1
Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73)
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n/an/a 350n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361920
PNG
(CHEMBL1938959)
Show SMILES Cc1ccccc1-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C14H12N4/c1-11-6-2-3-8-14(11)18-10-13(16-17-18)12-7-4-5-9-15-12/h2-10H,1H3
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n/an/a 490n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361917
PNG
(CHEMBL1938953)
Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-9-13(16-17-18)10-5-7-15-8-6-10/h1-9H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361919
PNG
(CHEMBL1938958)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C14H12N4/c1-11-5-7-12(8-6-11)18-10-14(16-17-18)13-4-2-3-9-15-13/h2-10H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361911
PNG
(CHEMBL294410)
Show SMILES Fc1ccc(cc1)-n1nncc1-c1ccncc1
Show InChI InChI=1S/C13H9FN4/c14-11-1-3-12(4-2-11)18-13(9-16-17-18)10-5-7-15-8-6-10/h1-9H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361909
PNG
(CHEMBL62965)
Show SMILES Clc1ccc(cc1)-n1nncc1-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-13(9-16-17-18)10-5-7-15-8-6-10/h1-9H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361918
PNG
(CHEMBL1938954)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-2-1-3-12(8-11)18-9-13(16-17-18)10-4-6-15-7-5-10/h1-9H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361912
PNG
(CHEMBL63070)
Show SMILES Cc1ccc(cc1)-n1nncc1-c1ccncc1
Show InChI InChI=1S/C14H12N4/c1-11-2-4-13(5-3-11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361914
PNG
(CHEMBL1938964)
Show SMILES C1C2CC3CC1CC(C2)C3n1nncc1-c1ccncc1
Show InChI InChI=1S/C17H20N4/c1-3-18-4-2-13(1)16-10-19-20-21(16)17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361916
PNG
(CHEMBL1938966)
Show SMILES C1C2CC3CC1CC(C2)C3n1nncc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H21N5/c1-2-17-18(22-4-3-21-17)10-14(1)19-11-23-24-25(19)20-15-6-12-5-13(8-15)9-16(20)7-12/h1-4,10-13,15-16,20H,5-9H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361916
PNG
(CHEMBL1938966)
Show SMILES C1C2CC3CC1CC(C2)C3n1nncc1-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H21N5/c1-2-17-18(22-4-3-21-17)10-14(1)19-11-23-24-25(19)20-15-6-12-5-13(8-15)9-16(20)7-12/h1-4,10-13,15-16,20H,5-9H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361910
PNG
(CHEMBL303351)
Show SMILES Clc1cccc(c1)-n1nncc1-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-2-1-3-12(8-11)18-13(9-16-17-18)10-4-6-15-7-5-10/h1-9H
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n/an/a 4.40E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068603
PNG
(CHEMBL3402357)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(NC(C)=O)c2)CC1
Show InChI InChI=1S/C21H26N4O2/c1-16(26)22-19-4-3-5-20(14-19)23-21(27)18-8-6-17(7-9-18)15-25-12-10-24(2)11-13-25/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)(H,23,27)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361914
PNG
(CHEMBL1938964)
Show SMILES C1C2CC3CC1CC(C2)C3n1nncc1-c1ccncc1
Show InChI InChI=1S/C17H20N4/c1-3-18-4-2-13(1)16-10-19-20-21(16)17-14-6-11-5-12(8-14)9-15(17)7-11/h1-4,10-12,14-15,17H,5-9H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361917
PNG
(CHEMBL1938953)
Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-1-3-12(4-2-11)18-9-13(16-17-18)10-5-7-15-8-6-10/h1-9H
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n/an/a 5.80E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361913
PNG
(CHEMBL1938963)
Show SMILES Cc1ccccc1-n1nncc1-c1ccncc1
Show InChI InChI=1S/C14H12N4/c1-11-4-2-3-5-13(11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361923
PNG
(CHEMBL1938956)
Show SMILES Clc1ccc(cc1)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C13H9ClN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H
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n/an/a 6.30E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361913
PNG
(CHEMBL1938963)
Show SMILES Cc1ccccc1-n1nncc1-c1ccncc1
Show InChI InChI=1S/C14H12N4/c1-11-4-2-3-5-13(11)18-14(10-16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361921
PNG
(CHEMBL1938402)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5/c1-2-4-13(5-3-1)11-22-12-17(20-21-22)14-6-7-15-16(10-14)19-9-8-18-15/h1-10,12H,11H2
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n/an/a 6.30E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361922
PNG
(CHEMBL1938955)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccncc1
Show InChI InChI=1S/C14H12N4/c1-11-2-4-13(5-3-11)18-10-14(16-17-18)12-6-8-15-9-7-12/h2-10H,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361924
PNG
(CHEMBL1938957)
Show SMILES Fc1ccc(cc1)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C13H9FN4/c14-10-4-6-11(7-5-10)18-9-13(16-17-18)12-3-1-2-8-15-12/h1-9H
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n/an/a 6.70E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361920
PNG
(CHEMBL1938959)
Show SMILES Cc1ccccc1-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C14H12N4/c1-11-6-2-3-8-14(11)18-10-13(16-17-18)12-7-4-5-9-15-12/h2-10H,1H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361921
PNG
(CHEMBL1938402)
Show SMILES C(c1ccccc1)n1cc(nn1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C17H13N5/c1-2-4-13(5-3-1)11-22-12-17(20-21-22)14-6-7-15-16(10-14)19-9-8-18-15/h1-10,12H,11H2
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n/an/a 9.50E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361907
PNG
(CHEMBL1938961)
Show SMILES C1C2CC3CC1CC(C2)C3n1cc(nn1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C20H21N5/c1-2-17-18(22-4-3-21-17)10-14(1)19-11-25(24-23-19)20-15-6-12-5-13(8-15)9-16(20)7-12/h1-4,10-13,15-16,20H,5-9H2
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n/an/a 9.70E+3n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361915
PNG
(CHEMBL1938965)
Show SMILES C1C2CC3CC1CC(C2)C3n1nncc1-c1ccccn1
Show InChI InChI=1S/C17H20N4/c1-2-4-18-15(3-1)16-10-19-20-21(16)17-13-6-11-5-12(8-13)9-14(17)7-11/h1-4,10-14,17H,5-9H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361918
PNG
(CHEMBL1938954)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccncc1
Show InChI InChI=1S/C13H9ClN4/c14-11-2-1-3-12(8-11)18-9-13(16-17-18)10-4-6-15-7-5-10/h1-9H
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n/an/a 1.05E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361908
PNG
(CHEMBL1938962)
Show SMILES C(Cn1cc(nn1)-c1ccc2nccnc2c1)N1CCOCC1
Show InChI InChI=1S/C16H18N6O/c1-2-14-15(18-4-3-17-14)11-13(1)16-12-22(20-19-16)6-5-21-7-9-23-10-8-21/h1-4,11-12H,5-10H2
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n/an/a 1.09E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361925
PNG
(CHEMBL1938960)
Show SMILES Fc1ccc(cc1)-n1cc(nn1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C16H10FN5/c17-12-2-4-13(5-3-12)22-10-16(20-21-22)11-1-6-14-15(9-11)19-8-7-18-14/h1-10H
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n/an/a 1.24E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50361919
PNG
(CHEMBL1938958)
Show SMILES Cc1ccc(cc1)-n1cc(nn1)-c1ccccn1
Show InChI InChI=1S/C14H12N4/c1-11-5-7-12(8-6-11)18-10-14(16-17-18)13-4-2-3-9-15-13/h2-10H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta by colorimetric analysis


Bioorg Med Chem Lett 22: 591-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.076
BindingDB Entry DOI: 10.7270/Q2JQ11GW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068544
PNG
(CHEMBL3402354)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCOCCOCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C57H55N7O10S/c1-33-41(7-6-8-46(33)63-53(68)35-9-13-36(14-10-35)57(2,3)4)47-32-64(5)54(69)51(62-47)60-37-15-11-34(12-16-37)52(67)58-23-25-72-27-28-73-26-24-59-56(75)61-38-17-20-42(45(29-38)55(70)71)50-43-21-18-39(65)30-48(43)74-49-31-40(66)19-22-44(49)50/h6-22,29-32,65H,23-28H2,1-5H3,(H,58,67)(H,60,62)(H,63,68)(H,70,71)(H2,59,61,75)
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n/an/an/a 8.80n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068541
PNG
(CHEMBL3400825)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69)
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n/an/an/a 6.10n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068542
PNG
(CHEMBL3400826)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C54H49N7O8S/c1-30-38(8-6-9-43(30)60-50(65)32-10-14-33(15-11-32)54(2,3)4)44-29-61(5)51(66)48(59-44)57-34-16-12-31(13-17-34)49(64)55-24-7-25-56-53(70)58-35-18-21-39(42(26-35)52(67)68)47-40-22-19-36(62)27-45(40)69-46-28-37(63)20-23-41(46)47/h6,8-23,26-29,62H,7,24-25H2,1-5H3,(H,55,64)(H,57,59)(H,60,65)(H,67,68)(H2,56,58,70)
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n/an/an/a 6.20n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068543
PNG
(CHEMBL3402353)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71)
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n/an/an/a 5.5n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068574
PNG
(CHEMBL3402355)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1
Show InChI InChI=1S/C55H49N7O8S/c1-31-39(7-6-8-44(31)59-50(65)32-9-13-34(14-10-32)55(2,3)4)45-30-60(5)52(67)49(58-45)56-35-15-11-33(12-16-35)51(66)61-23-25-62(26-24-61)54(71)57-36-17-20-40(43(27-36)53(68)69)48-41-21-18-37(63)28-46(41)70-47-29-38(64)19-22-42(47)48/h6-22,27-30,63H,23-26H2,1-5H3,(H,56,58)(H,57,71)(H,59,65)(H,68,69)
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n/an/an/a 2.5n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM50068595
PNG
(CHEMBL3402356)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1
Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73)
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n/an/an/a 3.80n/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay


Bioorg Med Chem Lett 25: 2033-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60
More data for this
Ligand-Target Pair