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Compile Data Set for Download or QSAR

Found 123 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 BTK


(Homo sapiens (Human))
BDBM50452720
PNG
(CHEMBL4212285)
Show SMILES CC(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-16(2)37-14-20(13-32-37)33-29-34-24(12-26(31)35-29)21-4-3-5-25(22(21)15-38)36-9-8-18-10-19(17-6-7-17)11-23(30)27(18)28(36)39/h3-5,8-14,16-17,38H,6-7,15H2,1-2H3,(H3,31,33,34,35)
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n/an/a 0.200n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452701
PNG
(CHEMBL4211960)
Show SMILES Nc1cc(nc(Nc2cnn(CC(F)F)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C28H24F3N7O2/c29-21-9-17(15-4-5-15)8-16-6-7-38(27(40)26(16)21)23-3-1-2-19(20(23)14-39)22-10-25(32)36-28(35-22)34-18-11-33-37(12-18)13-24(30)31/h1-3,6-12,15,24,39H,4-5,13-14H2,(H3,32,34,35,36)
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n/an/a 0.200n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452722
PNG
(CHEMBL4215160)
Show SMILES Nc1cc(nc(Nc2cnn(CC3CC3)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H28FN7O2/c31-24-11-20(18-6-7-18)10-19-8-9-38(29(40)28(19)24)26-3-1-2-22(23(26)16-39)25-12-27(32)36-30(35-25)34-21-13-33-37(15-21)14-17-4-5-17/h1-3,8-13,15,17-18,39H,4-7,14,16H2,(H3,32,34,35,36)
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n/an/a 0.300n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459581
PNG
(CHEMBL4218481)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H35N7O4/c1-32(2,3)22-11-7-20(8-12-22)28(41)35-26-6-4-5-24(25(26)19-40)27-36-30(33)38-31(37-27)34-23-13-9-21(10-14-23)29(42)39-15-17-43-18-16-39/h4-14,40H,15-19H2,1-3H3,(H,35,41)(H3,33,34,36,37,38)
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n/an/a<0.300n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452714
PNG
(CHEMBL4213985)
Show SMILES Nc1cc(nc(Nc2cnn(c2)C2CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C29H26FN7O2/c30-23-11-18(16-4-5-16)10-17-8-9-36(28(39)27(17)23)25-3-1-2-21(22(25)15-38)24-12-26(31)35-29(34-24)33-19-13-32-37(14-19)20-6-7-20/h1-3,8-14,16,20,38H,4-7,15H2,(H3,31,33,34,35)
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n/an/a 0.300n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459578
PNG
(CHEMBL4204675)
Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C28H23FN8O2/c1-36-13-18(11-19(36)12-30)32-28-34-25(33-27(31)35-28)20-3-2-4-23(21(20)14-38)37-8-7-16-9-17(15-5-6-15)10-22(29)24(16)26(37)39/h2-4,7-11,13,15,38H,5-6,14H2,1H3,(H3,31,32,33,34,35)
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n/an/a 0.390n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459553
PNG
(CHEMBL4209441)
Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)
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n/an/a 0.390n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452709
PNG
(CHEMBL4218643)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
Show InChI InChI=1S/C34H34FN7O2/c1-40-13-15-41(16-14-40)25-9-7-24(8-10-25)37-34-38-29(19-31(36)39-34)26-3-2-4-30(27(26)20-43)42-12-11-22-17-23(21-5-6-21)18-28(35)32(22)33(42)44/h2-4,7-12,17-19,21,43H,5-6,13-16,20H2,1H3,(H3,36,37,38,39)
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n/an/a 0.400n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452707
PNG
(CHEMBL4216609)
Show SMILES Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C27H24FN7O2/c1-34-13-18(12-30-34)31-27-32-22(11-24(29)33-27)19-3-2-4-23(20(19)14-36)35-8-7-16-9-17(15-5-6-15)10-21(28)25(16)26(35)37/h2-4,7-13,15,36H,5-6,14H2,1H3,(H3,29,31,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452700
PNG
(CHEMBL4204719)
Show SMILES CCn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C28H26FN7O2/c1-2-35-14-19(13-31-35)32-28-33-23(12-25(30)34-28)20-4-3-5-24(21(20)15-37)36-9-8-17-10-18(16-6-7-16)11-22(29)26(17)27(36)38/h3-5,8-14,16,37H,2,6-7,15H2,1H3,(H3,30,32,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459577
PNG
(CHEMBL4217816)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C32H30FN7O3/c33-26-17-21(19-4-5-19)16-20-10-11-40(30(42)28(20)26)27-3-1-2-24(25(27)18-41)29-36-31(34)38-32(37-29)35-22-6-8-23(9-7-22)39-12-14-43-15-13-39/h1-3,6-11,16-17,19,41H,4-5,12-15,18H2,(H3,34,35,36,37,38)
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n/an/a 0.410n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459580
PNG
(CHEMBL4211893)
Show SMILES CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)
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n/an/a 0.490n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459560
PNG
(CHEMBL4214343)
Show SMILES Nc1nc(Nc2cn[nH]c2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C25H21FN8O2/c26-19-9-15(13-4-5-13)8-14-6-7-34(23(36)21(14)19)20-3-1-2-17(18(20)12-35)22-31-24(27)33-25(32-22)30-16-10-28-29-11-16/h1-3,6-11,13,35H,4-5,12H2,(H,28,29)(H3,27,30,31,32,33)
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n/an/a 0.510n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459573
PNG
(CHEMBL4208062)
Show SMILES CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C30H27FN8O2/c1-16(2)39-14-20(12-21(39)13-32)34-30-36-27(35-29(33)37-30)22-4-3-5-25(23(22)15-40)38-9-8-18-10-19(17-6-7-17)11-24(31)26(18)28(38)41/h3-5,8-12,14,16-17,40H,6-7,15H2,1-2H3,(H3,33,34,35,36,37)
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n/an/a 0.530n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50357312
PNG
(IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459579
PNG
(CHEMBL4212436)
Show SMILES COCCOCCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C32H31FN8O4/c1-44-11-12-45-10-9-40-17-22(15-23(40)16-34)36-32-38-29(37-31(35)39-32)24-3-2-4-27(25(24)18-42)41-8-7-20-13-21(19-5-6-19)14-26(33)28(20)30(41)43/h2-4,7-8,13-15,17,19,42H,5-6,9-12,18H2,1H3,(H3,35,36,37,38,39)
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n/an/a 0.540n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459558
PNG
(CHEMBL4216862)
Show SMILES Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C28H25FN8O2/c29-22-11-17(15-4-5-15)10-16-8-9-36(26(39)24(16)22)23-3-1-2-20(21(23)14-38)25-33-27(30)35-28(34-25)32-18-12-31-37(13-18)19-6-7-19/h1-3,8-13,15,19,38H,4-7,14H2,(H3,30,32,33,34,35)
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n/an/a 0.570n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459572
PNG
(CHEMBL4216339)
Show SMILES CCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C29H25FN8O2/c1-2-37-14-19(12-20(37)13-31)33-29-35-26(34-28(32)36-29)21-4-3-5-24(22(21)15-39)38-9-8-17-10-18(16-6-7-16)11-23(30)25(17)27(38)40/h3-5,8-12,14,16,39H,2,6-7,15H2,1H3,(H3,32,33,34,35,36)
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n/an/a 0.580n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452702
PNG
(CHEMBL4206900)
Show SMILES Nc1cc(nc(Nc2ccc(cc2)N2CCOCC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C33H31FN6O3/c34-27-17-22(20-4-5-20)16-21-10-11-40(32(42)31(21)27)29-3-1-2-25(26(29)19-41)28-18-30(35)38-33(37-28)36-23-6-8-24(9-7-23)39-12-14-43-15-13-39/h1-3,6-11,16-18,20,41H,4-5,12-15,19H2,(H3,35,36,37,38)
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452704
PNG
(CHEMBL4208439)
Show SMILES CC(C)(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C30H30FN7O2/c1-30(2,3)38-15-20(14-33-38)34-29-35-24(13-26(32)36-29)21-5-4-6-25(22(21)16-39)37-10-9-18-11-19(17-7-8-17)12-23(31)27(18)28(37)40/h4-6,9-15,17,39H,7-8,16H2,1-3H3,(H3,32,34,35,36)
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452703
PNG
(CHEMBL4210972)
Show SMILES Nc1cc(nc(Nc2cnn(c2)C2(CO)CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H28FN7O3/c31-23-11-19(17-4-5-17)10-18-6-9-37(28(41)27(18)23)25-3-1-2-21(22(25)15-39)24-12-26(32)36-29(35-24)34-20-13-33-38(14-20)30(16-40)7-8-30/h1-3,6,9-14,17,39-40H,4-5,7-8,15-16H2,(H3,32,34,35,36)
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452717
PNG
(CHEMBL4214732)
Show SMILES Nc1cc(nc(Nc2cn[nH]c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C26H22FN7O2/c27-20-9-16(14-4-5-14)8-15-6-7-34(25(36)24(15)20)22-3-1-2-18(19(22)13-35)21-10-23(28)33-26(32-21)31-17-11-29-30-12-17/h1-3,6-12,14,35H,4-5,13H2,(H,29,30)(H3,28,31,32,33)
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n/an/a 0.600n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459571
PNG
(CHEMBL4212860)
Show SMILES CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H36N8O3/c1-32(2)17-20-16-26-29(42)40(11-10-39(26)27(20)18-32)25-5-3-4-23(24(25)19-41)28-35-30(33)37-31(36-28)34-21-6-8-22(9-7-21)38-12-14-43-15-13-38/h3-9,16,41H,10-15,17-19H2,1-2H3,(H3,33,34,35,36,37)
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n/an/a 0.620n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459554
PNG
(CHEMBL4209148)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38)
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n/an/a 0.670n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459565
PNG
(CHEMBL4217003)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C31H35N7O3/c1-31(2,3)21-9-7-20(8-10-21)28(40)34-26-6-4-5-24(25(26)19-39)27-35-29(32)37-30(36-27)33-22-11-13-23(14-12-22)38-15-17-41-18-16-38/h4-14,39H,15-19H2,1-3H3,(H,34,40)(H3,32,33,35,36,37)
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n/an/a 0.740n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452715
PNG
(CHEMBL4202615)
Show SMILES CC(=O)c1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1C
Show InChI InChI=1S/C30H27FN6O3/c1-16(39)26-12-20(14-36(26)2)33-30-34-24(13-27(32)35-30)21-4-3-5-25(22(21)15-38)37-9-8-18-10-19(17-6-7-17)11-23(31)28(18)29(37)40/h3-5,8-14,17,38H,6-7,15H2,1-2H3,(H3,32,33,34,35)
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n/an/a 0.800n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459568
PNG
(CHEMBL4213416)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO
Show InChI InChI=1S/C29H31N7O3S/c30-28-33-26(34-29(35-28)31-19-8-10-20(11-9-19)36-12-14-39-15-13-36)21-5-3-6-23(22(21)17-37)32-27(38)25-16-18-4-1-2-7-24(18)40-25/h3,5-6,8-11,16,37H,1-2,4,7,12-15,17H2,(H,32,38)(H3,30,31,33,34,35)
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n/an/a 0.810n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459559
PNG
(CHEMBL4203192)
Show SMILES Nc1nc(Nc2cc(C#N)n(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H25FN8O2/c31-24-11-18(16-4-5-16)10-17-8-9-38(28(41)26(17)24)25-3-1-2-22(23(25)15-40)27-35-29(33)37-30(36-27)34-19-12-21(13-32)39(14-19)20-6-7-20/h1-3,8-12,14,16,20,40H,4-7,15H2,(H3,33,34,35,36,37)
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n/an/a 0.860n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459555
PNG
(CHEMBL4205586)
Show SMILES CC(C)(C#N)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C33H33FN8O3/c1-33(2,19-35)21-16-20-10-11-42(30(44)28(20)26(34)17-21)27-5-3-4-24(25(27)18-43)29-38-31(36)40-32(39-29)37-22-6-8-23(9-7-22)41-12-14-45-15-13-41/h3-9,16-17,43H,10-15,18H2,1-2H3,(H3,36,37,38,39,40)
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n/an/a 1.60n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452705
PNG
(CHEMBL4216909)
Show SMILES Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C29H24FN7O2/c1-36-14-19(11-20(36)13-31)33-29-34-24(12-26(32)35-29)21-3-2-4-25(22(21)15-38)37-8-7-17-9-18(16-5-6-16)10-23(30)27(17)28(37)39/h2-4,7-12,14,16,38H,5-6,15H2,1H3,(H3,32,33,34,35)
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n/an/a 1.70n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459575
PNG
(CHEMBL4204802)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1CO
Show InChI InChI=1S/C30H31N7O3/c31-29-34-27(35-30(36-29)32-22-10-12-23(13-11-22)37-14-16-40-17-15-37)24-2-1-3-26(25(24)18-38)33-28(39)21-8-6-20(7-9-21)19-4-5-19/h1-3,6-13,19,38H,4-5,14-18H2,(H,33,39)(H3,31,32,34,35,36)
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n/an/a 2.10n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459570
PNG
(CHEMBL4217295)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(cc(F)c3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C32H32FN7O3/c33-26-17-21(19-4-5-19)16-20-10-11-40(30(42)28(20)26)27-3-1-2-24(25(27)18-41)29-36-31(34)38-32(37-29)35-22-6-8-23(9-7-22)39-12-14-43-15-13-39/h1-3,6-9,16-17,19,41H,4-5,10-15,18H2,(H3,34,35,36,37,38)
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n/an/a 2.20n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459580
PNG
(CHEMBL4211893)
Show SMILES CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)
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n/an/a 2.20n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452721
PNG
(CHEMBL4203409)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C33H35N5O3/c1-22-27(6-5-7-28(22)36-30(39)23-8-12-25(13-9-23)33(2,3)4)29-16-17-34-32(37-29)35-26-14-10-24(11-15-26)31(40)38-18-20-41-21-19-38/h5-17H,18-21H2,1-4H3,(H,36,39)(H,34,35,37)
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n/an/a 2.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452719
PNG
(CHEMBL4214229)
Show SMILES COc1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
Show InChI InChI=1S/C30H26FN5O3/c1-39-21-9-7-20(8-10-21)33-30-34-25(15-27(32)35-30)22-3-2-4-26(23(22)16-37)36-12-11-18-13-19(17-5-6-17)14-24(31)28(18)29(36)38/h2-4,7-15,17,37H,5-6,16H2,1H3,(H3,32,33,34,35)
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n/an/a 2.5n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged lambda phosphatase pre-treated N-terminal DYKDDDDK tagged and biotinylated BTK unactivated form (unknown origin) using FITC-...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459556
PNG
(CHEMBL4205287)
Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C30H33N7O3/c1-19(2)20-6-8-21(9-7-20)28(39)33-26-5-3-4-24(25(26)18-38)27-34-29(31)36-30(35-27)32-22-10-12-23(13-11-22)37-14-16-40-17-15-37/h3-13,19,38H,14-18H2,1-2H3,(H,33,39)(H3,31,32,34,35,36)
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n/an/a 2.5n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452720
PNG
(CHEMBL4212285)
Show SMILES CC(C)n1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C29H28FN7O2/c1-16(2)37-14-20(13-32-37)33-29-34-24(12-26(31)35-29)21-4-3-5-25(22(21)15-38)36-9-8-18-10-19(17-6-7-17)11-23(30)27(18)28(36)39/h3-5,8-14,16-17,38H,6-7,15H2,1-2H3,(H3,31,33,34,35)
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n/an/a 2.60n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452714
PNG
(CHEMBL4213985)
Show SMILES Nc1cc(nc(Nc2cnn(c2)C2CC2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C29H26FN7O2/c30-23-11-18(16-4-5-16)10-17-8-9-36(28(39)27(17)23)25-3-1-2-21(22(25)15-38)24-12-26(31)35-29(34-24)33-19-13-32-37(14-19)20-6-7-20/h1-3,8-14,16,20,38H,4-7,15H2,(H3,31,33,34,35)
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n/an/a 2.80n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452701
PNG
(CHEMBL4211960)
Show SMILES Nc1cc(nc(Nc2cnn(CC(F)F)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C28H24F3N7O2/c29-21-9-17(15-4-5-15)8-16-6-7-38(27(40)26(16)21)23-3-1-2-19(20(23)14-39)22-10-25(32)36-28(35-22)34-18-11-33-37(12-18)13-24(30)31/h1-3,6-12,15,24,39H,4-5,13-14H2,(H3,32,34,35,36)
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n/an/a 3.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452722
PNG
(CHEMBL4215160)
Show SMILES Nc1cc(nc(Nc2cnn(CC3CC3)c2)n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H28FN7O2/c31-24-11-20(18-6-7-18)10-19-8-9-38(29(40)28(19)24)26-3-1-2-22(23(26)16-39)25-12-27(32)36-30(35-25)34-21-13-33-37(15-21)14-17-4-5-17/h1-3,8-13,15,17-18,39H,4-7,14,16H2,(H3,32,34,35,36)
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n/an/a 3.40n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452707
PNG
(CHEMBL4216609)
Show SMILES Cn1cc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C27H24FN7O2/c1-34-13-18(12-30-34)31-27-32-22(11-24(29)33-27)19-3-2-4-23(20(19)14-36)35-8-7-16-9-17(15-5-6-15)10-21(28)25(16)26(35)37/h2-4,7-13,15,36H,5-6,14H2,1H3,(H3,29,31,32,33)
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n/an/a 3.70n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459552
PNG
(CHEMBL4208482)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C32H35N7O3/c1-32(2,3)21-7-12-24-20(17-21)18-39(29(24)41)27-6-4-5-25(26(27)19-40)28-35-30(33)37-31(36-28)34-22-8-10-23(11-9-22)38-13-15-42-16-14-38/h4-12,17,40H,13-16,18-19H2,1-3H3,(H3,33,34,35,36,37)
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n/an/a 3.80n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459567
PNG
(CHEMBL4215004)
Show SMILES CC(C)(C)c1ccc(s1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C29H33N7O3S/c1-29(2,3)24-12-11-23(40-24)26(38)32-22-6-4-5-20(21(22)17-37)25-33-27(30)35-28(34-25)31-18-7-9-19(10-8-18)36-13-15-39-16-14-36/h4-12,37H,13-17H2,1-3H3,(H,32,38)(H3,30,31,33,34,35)
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n/an/a 4n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459569
PNG
(CHEMBL4204140)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO
Show InChI InChI=1S/C32H33N7O3/c33-31-35-29(36-32(37-31)34-23-7-9-24(10-8-23)38-14-16-42-17-15-38)26-2-1-3-28(27(26)19-40)39-13-12-22-18-21(20-4-5-20)6-11-25(22)30(39)41/h1-3,6-11,18,20,40H,4-5,12-17,19H2,(H3,33,34,35,36,37)
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n/an/a 4.20n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459553
PNG
(CHEMBL4209441)
Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1
Show InChI InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)
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n/an/a 4.20n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459557
PNG
(CHEMBL4209020)
Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1
Show InChI InChI=1S/C31H30N8O3/c32-30-35-28(36-31(37-30)34-22-7-9-23(10-8-22)38-12-14-42-15-13-38)25-2-1-3-27(26(25)18-40)39-29(41)24-11-6-20(19-4-5-19)16-21(24)17-33-39/h1-3,6-11,16-17,19,40H,4-5,12-15,18H2,(H3,32,34,35,36,37)
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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 N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459576
PNG
(CHEMBL4209666)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C29H32N8O3/c1-36(2)21-10-6-19(7-11-21)27(39)32-25-5-3-4-23(24(25)18-38)26-33-28(30)35-29(34-26)31-20-8-12-22(13-9-20)37-14-16-40-17-15-37/h3-13,38H,14-18H2,1-2H3,(H,32,39)(H3,30,31,33,34,35)
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n/an/a 4.70n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50459579
PNG
(CHEMBL4212436)
Show SMILES COCCOCCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
Show InChI InChI=1S/C32H31FN8O4/c1-44-11-12-45-10-9-40-17-22(15-23(40)16-34)36-32-38-29(37-31(35)39-32)24-3-2-4-27(25(24)18-42)41-8-7-20-13-21(19-5-6-19)14-26(33)28(20)30(41)43/h2-4,7-8,13-15,17,19,42H,5-6,9-12,18H2,1H3,(H3,35,36,37,38,39)
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n/an/a 5.10n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...


J Med Chem 61: 8917-8933 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50452709
PNG
(CHEMBL4218643)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)cc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1
Show InChI InChI=1S/C34H34FN7O2/c1-40-13-15-41(16-14-40)25-9-7-24(8-10-25)37-34-38-29(19-31(36)39-34)26-3-2-4-30(27(26)20-43)42-12-11-22-17-23(21-5-6-21)18-28(35)32(22)33(42)44/h2-4,7-12,17-19,21,43H,5-6,13-16,20H2,1H3,(H3,36,37,38,39)
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n/an/a 5.30n/an/an/an/an/an/a



Carna Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal DYKDDDDK tagged and biotinylated BTK activated form (unknown origin) using FITC-labeled Srctide substrate and ATP by microfl...


Bioorg Med Chem Lett 28: 145-151 (2018)

More data for this
Ligand-Target Pair
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