Compile Data Set for Download or QSAR
Found 21 Enz. Inhib. hit(s) with all data for entry = 50045572
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM36516(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)
Affinity DataIC50: 0.610nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068574(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)
Affinity DataIC50: 0.610nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068542(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)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068543(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)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068595(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)
Affinity DataIC50: 4.80nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068541(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)
Affinity DataIC50: 5.60nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068544(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)
Affinity DataIC50: 7.80nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068574(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)
Affinity DataIC50: 69nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM36516(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)
Affinity DataIC50: 81nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068543(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)
Affinity DataIC50: 189nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068542(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)
Affinity DataIC50: 208nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068541(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)
Affinity DataIC50: 290nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068544(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)
Affinity DataIC50: 305nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068595(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)
Affinity DataIC50: 350nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068603(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)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068574(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)
Affinity DataKd:  2.5nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068544(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)
Affinity DataKd:  8.80nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068543(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)
Affinity DataKd:  5.5nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068542(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)
Affinity DataKd:  6.20nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068595(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)
Affinity DataKd:  3.80nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences, Inc

Curated by ChEMBL
LigandPNGBDBM50068541(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)
Affinity DataKd:  6.10nMAssay Description:Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair