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USPatent US10227341

Compile data set for download or QSAR
Found 146 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324391
PNG
((S)-5-(tert-butyl)-N-(2- (2-hydroxy-2- methylpropy...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)/t23-/m0/s1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324399
PNG
(5-(tert-butyl)-N-((S)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324392
PNG
(1-(tert-butyl)-N-((S)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324398
PNG
((S)-5-(tert-butyl)-N-(8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324396
PNG
((S)-5-(tert-butyl)-N-(2- (3-hydroxy- cyclobutyl)-8...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wD:15.30,(7.12,-4.44,;5.59,-4.28,;4.56,-5.43,;3.15,-4.8,;1.82,-5.57,;.48,-4.8,;-.85,-5.57,;-2.19,-4.8,;-2.19,-3.26,;-.85,-2.49,;.48,-3.26,;-.85,-.95,;.48,-.18,;.48,1.36,;-.85,2.13,;-.62,3.65,;-1.67,4.78,;-3.21,4.66,;-4.07,3.39,;-3.62,1.92,;-2.19,1.36,;-2.19,-.18,;-5.6,3.62,;-6.46,4.9,;-7.73,4.04,;-9.25,4.33,;-6.87,2.76,;.85,4.11,;2.34,3.71,;2.34,2.17,;3.82,4.11,;4.3,5.57,;5.84,5.57,;6.32,4.11,;5.07,3.2,;7.78,3.63,;8.92,4.66,;8.1,2.13,;9.25,3.16,;3.31,-3.27,;4.82,-2.95,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324393
PNG
(1-(tert-butyl)-N-((S)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25+/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324390
PNG
((S)-5-(tert-butyl)-N-(2- ethyl-8-(2-((1-methyl- 1H...)
Show SMILES CCN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C27H33N9O2/c1-6-36-12-10-22(31-23(37)24-33-34-25(38-24)27(2,3)4)20-8-7-17(13-18(20)15-36)21-9-11-28-26(32-21)30-19-14-29-35(5)16-19/h7-9,11,13-14,16,22H,6,10,12,15H2,1-5H3,(H,31,37)(H,28,30,32)/t22-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324387
PNG
((S)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324397
PNG
(5-(tert-butyl)-N-((S)- 2-((S)-2-hydroxy- propyl)-8...)
Show SMILES C[C@H](O)CN1CC[C@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368510
PNG
((S)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-14-37(20-15-39-16-20)10-8-17-11-18(5-6-21(17)23)22-7-9-29-27(33-22)31-19-12-30-36(4)13-19/h5-7,9,11-13,20,23H,8,10,14-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368497
PNG
((S)-1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34)/t25-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324394
PNG
(5-(tert-butyl)-N-(3- methyl-7-(2-((1-methyl- 1H-py...)
Show SMILES CN1CCc2cc(ccc2C(C1)NC(=O)c1nnc(o1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H31N9O2/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-15-34(4)11-9-16-12-17(6-7-19(16)21)20-8-10-27-25(31-20)29-18-13-28-35(5)14-18/h6-8,10,12-14,21H,9,11,15H2,1-5H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324400
PNG
(5-(tert-butyl)-N-((S)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368496
PNG
(US10227341, Compound 14b | US10961237, Compound 14...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324389
PNG
((S)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)/t21-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324354
PNG
(5-(tert-butyl)-N-(3-(2- hydroxyethyl)-7-(2-((1- me...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCO)CCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-34-33-24(39-25)23(38)31-22-16-36(11-12-37)10-8-17-13-18(5-6-20(17)22)21-7-9-28-26(32-21)30-19-14-29-35(4)15-19/h5-7,9,13-15,22,37H,8,10-12,16H2,1-4H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324355
PNG
(5-(tert-butyl)-N-(7-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-33-32-23(39-24)22(36)30-21-15-35(40(5,37)38)11-9-16-12-17(6-7-19(16)21)20-8-10-27-25(31-20)29-18-13-28-34(4)14-18/h6-8,10,12-14,21H,9,11,15H2,1-5H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324357
PNG
(5-(tert-butyl)-N-(7-(2- ((1-methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-14-37(20-15-39-16-20)10-8-17-11-18(5-6-21(17)23)22-7-9-29-27(33-22)31-19-12-30-36(4)13-19/h5-7,9,11-13,20,23H,8,10,14-16H2,1-4H3,(H,32,38)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324362
PNG
(N-(2-(2-hydroxyethyl)- 8-(2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C(F)(F)F)cn1
Show InChI InChI=1S/C27H30F3N9O3/c1-26(2,27(28,29)30)24-37-36-23(42-24)22(41)34-21-7-9-39(10-11-40)14-17-12-16(4-5-19(17)21)20-6-8-31-25(35-20)33-18-13-32-38(3)15-18/h4-6,8,12-13,15,21,40H,7,9-11,14H2,1-3H3,(H,34,41)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324359
PNG
(1-(tert-butyl)-N-(7-(2- ((1-methyl-1H-pyrazol- 4-y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H30N10O/c1-25(2,3)35-15-22(32-33-35)23(36)30-21-13-26-9-7-16-11-17(5-6-19(16)21)20-8-10-27-24(31-20)29-18-12-28-34(4)14-18/h5-6,8,10-12,14-15,21,26H,7,9,13H2,1-4H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324363
PNG
(N-(2-methyl-8-(2-((1- methyl-1H-pyrazol-4- yl)amin...)
Show SMILES CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H28F3N9O2/c1-25(2,26(27,28)29)23-36-35-22(40-23)21(39)33-20-8-10-37(3)13-16-11-15(5-6-18(16)20)19-7-9-30-24(34-19)32-17-12-31-38(4)14-17/h5-7,9,11-12,14,20H,8,10,13H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324365
PNG
(5-(1-fluoro-2- methylpropan-2-yl)-N-(2- ((S)-2-hyd...)
Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)CF)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H34FN9O3/c1-17(39)13-38-10-8-23(33-24(40)25-35-36-26(41-25)28(2,3)16-29)21-6-5-18(11-19(21)14-38)22-7-9-30-27(34-22)32-20-12-31-37(4)15-20/h5-7,9,11-12,15,17,23,39H,8,10,13-14,16H2,1-4H3,(H,33,40)(H,30,32,34)/t17-,23?/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324369
PNG
(1-isopropyl-N-(8-(2- ((1-methyl-1H-pyrazol- 4-yl)a...)
Show SMILES CC(C)n1cc(nn1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1)C1COC1
Show InChI InChI=1S/C27H32N10O2/c1-17(2)37-14-25(33-34-37)26(38)31-24-7-9-36(21-15-39-16-21)12-19-10-18(4-5-22(19)24)23-6-8-28-27(32-23)30-20-11-29-35(3)13-20/h4-6,8,10-11,13-14,17,21,24H,7,9,12,15-16H2,1-3H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324367
PNG
(5-(2-cyanopropan-2- yl)-N-(2-methyl-8-(2- ((1-meth...)
Show SMILES CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C#N)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H28N10O2/c1-26(2,15-27)24-34-33-23(38-24)22(37)31-21-8-10-35(3)13-17-11-16(5-6-19(17)21)20-7-9-28-25(32-20)30-18-12-29-36(4)14-18/h5-7,9,11-12,14,21H,8,10,13H2,1-4H3,(H,31,37)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324372
PNG
(1-(tert-butyl)-N-(8-(2- ((1-methyl-1H-pyrazol- 4-y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCNCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H30N10O/c1-25(2,3)35-15-22(32-33-35)23(36)30-21-7-9-26-12-17-11-16(5-6-19(17)21)20-8-10-27-24(31-20)29-18-13-28-34(4)14-18/h5-6,8,10-11,13-15,21,26H,7,9,12H2,1-4H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324375
PNG
(N-(2-methyl-8-(2-((1- methyl-1H-pyrazol-4- yl)amin...)
Show SMILES CN1CCC(NC(=O)c2nnc(o2)C2(C)CC2)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H29N9O2/c1-26(8-9-26)24-33-32-23(37-24)22(36)30-21-7-11-34(2)14-17-12-16(4-5-19(17)21)20-6-10-27-25(31-20)29-18-13-28-35(3)15-18/h4-6,10,12-13,15,21H,7-9,11,14H2,1-3H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324379
PNG
(5-(tert-butyl)-N-(2- (2-((5- methyl-4,5,6,7- tetra...)
Show SMILES CN1CCn2ncc(Nc3nccc(n3)-c3ccc4C(CCCCc4c3)NC(=O)c3noc(n3)C(C)(C)C)c2C1
Show InChI InChI=1S/C29H35N9O2/c1-29(2,3)27-35-25(36-40-27)26(39)32-22-8-6-5-7-18-15-19(9-10-20(18)22)21-11-12-30-28(33-21)34-23-16-31-38-14-13-37(4)17-24(23)38/h9-12,15-16,22H,5-8,13-14,17H2,1-4H3,(H,32,39)(H,30,33,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324380
PNG
(1-(tert-butyl)-N- (2-(2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H31N9O/c1-26(2,3)35-16-23(32-33-35)24(36)30-22-8-6-5-7-17-13-18(9-10-20(17)22)21-11-12-27-25(31-21)29-19-14-28-34(4)15-19/h9-16,22H,5-8H2,1-4H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324364
PNG
(5-(1-fluoro-2- methylpropan-2-yl)- N-(8- (2-((1-me...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)CF)cn1
Show InChI InChI=1S/C28H32FN9O3/c1-28(2,16-29)26-36-35-25(41-26)24(39)33-23-7-9-38(20-14-40-15-20)12-18-10-17(4-5-21(18)23)22-6-8-30-27(34-22)32-19-11-31-37(3)13-19/h4-6,8,10-11,13,20,23H,7,9,12,14-16H2,1-3H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324370
PNG
(1-cyclobutyl-N-(8-(2- ((1-methyl-1H-pyrazol- 4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C2CCC2)cn1
Show InChI InChI=1S/C28H32N10O2/c1-36-14-20(12-30-36)31-28-29-9-7-24(33-28)18-5-6-23-19(11-18)13-37(22-16-40-17-22)10-8-25(23)32-27(39)26-15-38(35-34-26)21-3-2-4-21/h5-7,9,11-12,14-15,21-22,25H,2-4,8,10,13,16-17H2,1H3,(H,32,39)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324374
PNG
((R)-1-(tert-butyl)- N-(8- (2-((5,6-dihydro-4H- pyr...)
Show SMILES CC(C)(C)n1cc(nn1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-18-25(35-36-39)27(41)32-23-9-12-37(13-14-40)17-20-15-19(6-7-21(20)23)22-8-10-30-28(33-22)34-24-16-31-38-11-4-5-26(24)38/h6-8,10,15-16,18,23,40H,4-5,9,11-14,17H2,1-3H3,(H,32,41)(H,30,33,34)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324378
PNG
((R)-5-(tert-butyl)-N-(8- (2-((1,3-dimethyl-1H- pyr...)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(CC(F)(F)F)Cc2c1)NC(=O)c1nnc(o1)C(C)(C)C |r|
Show InChI InChI=1S/C28H32F3N9O2/c1-16-22(14-39(5)38-16)35-26-32-10-8-20(34-26)17-6-7-19-18(12-17)13-40(15-28(29,30)31)11-9-21(19)33-23(41)24-36-37-25(42-24)27(2,3)4/h6-8,10,12,14,21H,9,11,13,15H2,1-5H3,(H,33,41)(H,32,34,35)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324353
PNG
((R)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)/t20-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324366
PNG
(5-cyclobutyl-N-(2- methyl-8-(2-((1- methyl-1H-pyra...)
Show SMILES CN1CCC(NC(=O)c2nnc(o2)C2CCC2)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H29N9O2/c1-34-11-9-22(30-23(36)25-33-32-24(37-25)16-4-3-5-16)20-7-6-17(12-18(20)14-34)21-8-10-27-26(31-21)29-19-13-28-35(2)15-19/h6-8,10,12-13,15-16,22H,3-5,9,11,14H2,1-2H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324368
PNG
(5-(2-cyanopropan-2-yl)- N-(2-(2-hydroxyethyl)-8- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C#N)cn1
Show InChI InChI=1S/C27H30N10O3/c1-27(2,16-28)25-35-34-24(40-25)23(39)32-22-7-9-37(10-11-38)14-18-12-17(4-5-20(18)22)21-6-8-29-26(33-21)31-19-13-30-36(3)15-19/h4-6,8,12-13,15,22,38H,7,9-11,14H2,1-3H3,(H,32,39)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324373
PNG
(1-(tert-butyl)-N-(8- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H38N10O2/c1-30(2,3)40-19-27(36-37-40)28(41)34-26-8-12-39(23-9-13-42-14-10-23)17-21-15-20(5-6-24(21)26)25-7-11-31-29(35-25)33-22-16-32-38(4)18-22/h5-7,11,15-16,18-19,23,26H,8-10,12-14,17H2,1-4H3,(H,34,41)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324382
PNG
(5-cyclobutyl-N-(2-(2- hydroxyethyl)-8-(2-((1- meth...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2CCC2)cn1
Show InChI InChI=1S/C27H31N9O3/c1-35-16-20(14-29-35)30-27-28-9-7-22(32-27)18-5-6-21-19(13-18)15-36(11-12-37)10-8-23(21)31-24(38)26-34-33-25(39-26)17-3-2-4-17/h5-7,9,13-14,16-17,23,37H,2-4,8,10-12,15H2,1H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324383
PNG
((R)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CN(CCc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-14-37(20-15-39-16-20)10-8-17-11-18(5-6-21(17)23)22-7-9-29-27(33-22)31-19-12-30-36(4)13-19/h5-7,9,11-13,20,23H,8,10,14-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368461
PNG
(1-(tert-butyl)-N-(3-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2cc(ccn2)-c2cc3CCCCC(NC(=O)c4cn(nn4)C(C)(C)C)c3cn2)cn1
Show InChI InChI=1S/C26H31N9O/c1-26(2,3)35-16-23(32-33-35)25(36)31-21-8-6-5-7-17-11-22(28-14-20(17)21)18-9-10-27-24(12-18)30-19-13-29-34(4)15-19/h9-16,21H,5-8H2,1-4H3,(H,27,30)(H,31,36)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324358
PNG
(5-(tert-butyl)-N-(3-(2- hydroxy-2- methylpropyl)-7...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CC(C)(C)O)CCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-16-38(17-29(4,5)40)12-10-18-13-19(7-8-21(18)23)22-9-11-30-27(34-22)32-20-14-31-37(6)15-20/h7-9,11,13-15,23,40H,10,12,16-17H2,1-6H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324371
PNG
(5-(tert-butyl)-N-(8-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H33N9O2S/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324377
PNG
((R)-1-(tert-butyl)-N-(8- (2-((1,3-dimethyl-1H- pyr...)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1cn(nn1)C(C)(C)C |r|
Show InChI InChI=1S/C29H36N10O2/c1-18-25(14-37(5)35-18)33-28-30-10-8-23(32-28)19-6-7-22-20(12-19)13-38(21-16-41-17-21)11-9-24(22)31-27(40)26-15-39(36-34-26)29(2,3)4/h6-8,10,12,14-15,21,24H,9,11,13,16-17H2,1-5H3,(H,31,40)(H,30,32,33)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324360
PNG
(1-(tert-butyl)-N-(3- methyl-7-(2-((1- methyl-1H-py...)
Show SMILES CN1CCc2cc(ccc2C(C1)NC(=O)c1cn(nn1)C(C)(C)C)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C26H32N10O/c1-26(2,3)36-16-23(32-33-36)24(37)30-22-15-34(4)11-9-17-12-18(6-7-20(17)22)21-8-10-27-25(31-21)29-19-13-28-35(5)14-19/h6-8,10,12-14,16,22H,9,11,15H2,1-5H3,(H,30,37)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324376
PNG
((R)-5-(tert-butyl)-N-(8- (2-((1,5-dimethyl-1H- pyr...)
Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cnn1C |r|
Show InChI InChI=1S/C28H35N9O3/c1-17-23(15-30-36(17)5)33-27-29-10-8-21(32-27)18-6-7-20-19(14-18)16-37(12-13-38)11-9-22(20)31-24(39)25-34-35-26(40-25)28(2,3)4/h6-8,10,14-15,22,38H,9,11-13,16H2,1-5H3,(H,31,39)(H,29,32,33)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324381
PNG
(5-(tert-butyl)-N-(8- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCNCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-20-7-9-26-12-16-11-15(5-6-18(16)20)19-8-10-27-24(31-19)29-17-13-28-34(4)14-17/h5-6,8,10-11,13-14,20,26H,7,9,12H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324386
PNG
(5-(tert-butyl)-N- (8-(2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(s2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O2S/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324356
PNG
(5-(tert-butyl)-N-(7-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-16-38(21-9-12-40-17-21)11-8-18-13-19(5-6-22(18)24)23-7-10-30-28(34-23)32-20-14-31-37(4)15-20/h5-7,10,13-15,21,24H,8-9,11-12,16-17H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324361
PNG
(1-(tert-butyl)-N-(3-(2- hydroxyethyl)-7-(2-((1- me...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCO)CCc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H34N10O2/c1-27(2,3)37-17-24(33-34-37)25(39)31-23-16-36(11-12-38)10-8-18-13-19(5-6-21(18)23)22-7-9-28-26(32-22)30-20-14-29-35(4)15-20/h5-7,9,13-15,17,23,38H,8,10-12,16H2,1-4H3,(H,31,39)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324384
PNG
(5-(tert-butyl)-N-(7-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324385
PNG
(1-(tert-butyl)-N-(7- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CN(CCc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-14-37(21-16-40-17-21)10-8-18-11-19(5-6-22(18)24)23-7-9-29-27(33-23)31-20-12-30-36(4)13-20/h5-7,9,11-13,15,21,24H,8,10,14,16-17H2,1-4H3,(H,32,39)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324293
PNG
((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324294
PNG
(3-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nc(no2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-23(36-33-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324295
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-32-31-22(36-23)21(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324296
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCOc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H28N8O3/c1-25(2,3)23-31-21(32-36-23)22(34)29-19-6-5-11-35-20-12-15(7-8-17(19)20)18-9-10-26-24(30-18)28-16-13-27-33(4)14-16/h7-10,12-14,19H,5-6,11H2,1-4H3,(H,29,34)(H,26,28,30)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324302
PNG
(5-(tert-butyl)-N-(2-(2- (dimethylamino)acetyl)- 8-...)
Show SMILES CN(C)CC(=O)N1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C29H36N10O3/c1-29(2,3)27-35-25(36-42-27)26(41)33-23-10-12-39(24(40)17-37(4)5)15-19-13-18(7-8-21(19)23)22-9-11-30-28(34-22)32-20-14-31-38(6)16-20/h7-9,11,13-14,16,23H,10,12,15,17H2,1-6H3,(H,33,41)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324316
PNG
(5-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324319
PNG
((R)-5-(tert-butyl)-N-(2- ethyl-8-(2-((1-methyl- 1H...)
Show SMILES CCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C27H33N9O2/c1-6-36-12-10-22(31-23(37)24-33-34-25(38-24)27(2,3)4)20-8-7-17(13-18(20)15-36)21-9-11-28-26(32-21)30-19-14-29-35(5)16-19/h7-9,11,13-14,16,22H,6,10,12,15H2,1-5H3,(H,31,37)(H,28,30,32)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324332
PNG
((R)-1-(tert-butyl)- N-(8- (2-((1,5-dimethyl-1H- py...)
Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cnn1C |r|
Show InChI InChI=1S/C28H36N10O2/c1-18-24(15-30-36(18)5)33-27-29-10-8-22(32-27)19-6-7-21-20(14-19)16-37(12-13-39)11-9-23(21)31-26(40)25-17-38(35-34-25)28(2,3)4/h6-8,10,14-15,17,23,39H,9,11-13,16H2,1-5H3,(H,31,40)(H,29,32,33)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324347
PNG
((R)-5-(tert-butyl)-N-(2- (2-ethoxyethyl)-8- (2-((1...)
Show SMILES CCOCCN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C29H37N9O3/c1-6-40-14-13-38-12-10-24(33-25(39)26-35-36-27(41-26)29(2,3)4)22-8-7-19(15-20(22)17-38)23-9-11-30-28(34-23)32-21-16-31-37(5)18-21/h7-9,11,15-16,18,24H,6,10,12-14,17H2,1-5H3,(H,33,39)(H,30,32,34)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324351
PNG
((R)-5-(tert-butyl)-N-(2- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Show InChI InChI=1S/C28H32N8O2/c1-28(2,3)26-34-24(35-38-26)25(37)31-21-8-5-4-7-17-15-18(10-11-19(17)21)20-12-13-29-27(32-20)33-22-16-30-36-14-6-9-23(22)36/h10-13,15-16,21H,4-9,14H2,1-3H3,(H,31,37)(H,29,32,33)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324209
PNG
(5-(tert-butyl)-N-(7-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324278
PNG
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24+/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324285
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31F3N10O/c1-26(2,3)40-15-23(36-37-40)24(41)34-22-8-10-39(16-27(28,29)30)13-18-11-17(5-6-20(18)22)21-7-9-31-25(35-21)33-19-12-32-38(4)14-19/h5-7,9,11-12,14-15,22H,8,10,13,16H2,1-4H3,(H,34,41)(H,31,33,35)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324287
PNG
(1-(tert-butyl)-N—((R)-2-((S)-2-hydroxypropyl)...)
Show SMILES C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24+/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368406
PNG
((R)-5-(tert-butyl)-N-(3-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1 |r|
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(H,26,29,31)/t18-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324301
PNG
(5-(tert-butyl)-N-(8-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324312
PNG
(1-(tert-butyl)-N-(2-((R)- 2-hydroxypropyl)-8-(2- (...)
Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24?/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324336
PNG
((R)-5-(tert-butyl)-N-(2- (cyclopropylmethyl)-8- (2...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC4CC4)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H35N9O2/c1-29(2,3)27-36-35-26(40-27)25(39)33-24-10-12-38(15-18-5-6-18)16-20-13-19(7-8-22(20)24)23-9-11-30-28(34-23)32-21-14-31-37(4)17-21/h7-9,11,13-14,17-18,24H,5-6,10,12,15-16H2,1-4H3,(H,33,39)(H,30,32,34)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324344
PNG
((R)-N-(2-(2-((1-methyl- 1H-pyrazol-4- yl)amino)pyr...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1 |r|
Show InChI InChI=1S/C26H28N8O2/c1-26(10-11-26)24-33-32-23(36-24)22(35)30-21-6-4-3-5-16-13-17(7-8-19(16)21)20-9-12-27-25(31-20)29-18-14-28-34(2)15-18/h7-9,12-15,21H,3-6,10-11H2,1-2H3,(H,30,35)(H,27,29,31)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324345
PNG
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25+/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324350
PNG
(5-(tert-butyl)-N-(8- hydroxy-2-(2-((1-methyl- 1H-p...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCC(O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O3/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-8-6-18(35)12-16-11-15(5-7-19(16)21)20-9-10-27-25(31-20)29-17-13-28-34(4)14-17/h5,7,9-11,13-14,18,21,35H,6,8,12H2,1-4H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324263
PNG
(5-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-5-38-15-20(13-31-38)32-28-30-10-8-23(34-28)18-6-7-22-19(12-18)14-37(21-16-40-17-21)11-9-24(22)33-26(39)25-35-27(41-36-25)29(2,3)4/h6-8,10,12-13,15,21,24H,5,9,11,14,16-17H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324265
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1,5-dimethyl-1H-pyraz...)
Show SMILES Cc1c(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cnn1C |r|
Show InChI InChI=1S/C28H35N9O3/c1-17-23(15-30-36(17)5)33-27-29-10-8-21(32-27)18-6-7-20-19(14-18)16-37(12-13-38)11-9-22(20)31-25(39)24-34-26(40-35-24)28(2,3)4/h6-8,10,14-15,22,38H,9,11-13,16H2,1-5H3,(H,31,39)(H,29,32,33)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324279
PNG
(1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-yl)a...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324300
PNG
((S)-5-(tert-butyl)-N-(7- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CNCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-20-13-26-9-7-15-11-16(5-6-18(15)20)19-8-10-27-24(31-19)29-17-12-28-34(4)14-17/h5-6,8,10-12,14,20,26H,7,9,13H2,1-4H3,(H,30,35)(H,27,29,31)/t20-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368413
PNG
(3-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(s2)C(C)(C)C)cn1 |(7.53,-4.6,;5.99,-4.6,;5.08,-5.85,;3.62,-5.37,;2.28,-6.14,;.95,-5.37,;-.38,-6.14,;-1.72,-5.37,;-1.72,-3.83,;-.38,-3.06,;.95,-3.83,;-.38,-1.52,;.95,-.75,;.95,.79,;-.49,1.53,;-.49,3.17,;-1.69,4.13,;-3.19,3.79,;-3.86,2.4,;-3.19,1.02,;-1.69,.67,;-1.72,-.75,;-5.35,2.8,;-6.12,4.14,;-7.45,3.37,;-8.94,3.76,;-6.68,2.03,;.83,3.98,;2.18,3.24,;2.21,1.7,;3.49,4.04,;3.49,5.58,;4.96,6.06,;5.86,4.81,;4.96,3.57,;7.4,4.81,;8.17,6.14,;8.17,3.48,;8.94,4.81,;3.62,-3.83,;5.08,-3.36,)|
Show InChI InChI=1S/C29H35N9O2S/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324310
PNG
(1-(tert-butyl)-N-(8- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H31F3N10O/c1-26(2,3)40-15-23(36-37-40)24(41)34-22-8-10-39(16-27(28,29)30)13-18-11-17(5-6-20(18)22)21-7-9-31-25(35-21)33-19-12-32-38(4)14-19/h5-7,9,11-12,14-15,22H,8,10,13,16H2,1-4H3,(H,34,41)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324311
PNG
(1-(tert-butyl)-N-(2-(2- hydroxyethyl)-8-(2-((1- me...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H34N10O2/c1-27(2,3)37-17-24(33-34-37)25(39)31-23-8-10-36(11-12-38)15-19-13-18(5-6-21(19)23)22-7-9-28-26(32-22)30-20-14-29-35(4)16-20/h5-7,9,13-14,16-17,23,38H,8,10-12,15H2,1-4H3,(H,31,39)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324318
PNG
(5-(tert-butyl)-N-(2-ethyl- 8-(2-((1-methyl-1H- pyr...)
Show SMILES CCN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C27H33N9O2/c1-6-36-12-10-22(31-23(37)24-33-34-25(38-24)27(2,3)4)20-8-7-17(13-18(20)15-36)21-9-11-28-26(32-21)30-19-14-29-35(5)16-19/h7-9,11,13-14,16,22H,6,10,12,15H2,1-5H3,(H,31,37)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324322
PNG
(5-(tert-butyl)-N-(2-(2- hydroxy-2- methylpropyl)-8...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324335
PNG
(5-(tert-butyl)-N-((R)-2- ((R)-2-hydroxy- propyl)-8...)
Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324352
PNG
((R)-5-(tert-butyl)-N-(2- (2-((1-methyl-5- (trifluo...)
Show SMILES Cn1ncc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)c1C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3N8O2/c1-26(2,3)24-36-22(37-40-24)23(39)33-19-8-6-5-7-15-13-16(9-10-17(15)19)18-11-12-31-25(34-18)35-20-14-32-38(4)21(20)27(28,29)30/h9-14,19H,5-8H2,1-4H3,(H,33,39)(H,31,34,35)/t19-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324271
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-33-32-23(39-24)22(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324274
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-37-36-23(41-24)22(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368388
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-ethyl-1H-pyrazol-4-...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-5-38-15-21(13-31-38)32-28-30-10-8-24(34-28)19-6-7-23-20(12-19)14-37(22-17-41-18-22)11-9-25(23)33-27(40)26-16-39(36-35-26)29(2,3)4/h6-8,10,12-13,15-16,22,25H,5,9,11,14,17-18H2,1-4H3,(H,33,40)(H,30,32,34)/t25-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324284
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324288
PNG
((R)-1-(tert-butyl)-N-(2-(2-methoxyethyl)-8-(2-((1-...)
Show SMILES COCCN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-28(2,3)38-18-25(34-35-38)26(39)32-24-9-11-37(12-13-40-5)16-20-14-19(6-7-22(20)24)23-8-10-29-27(33-23)31-21-15-30-36(4)17-21/h6-8,10,14-15,17-18,24H,9,11-13,16H2,1-5H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324309
PNG
(1-(tert-butyl)-N-(8-(2- ((1-methyl-1H- pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324321
PNG
(5-(tert-butyl)-N-(2-((R)- 2-hydroxypropyl)-8-(2- (...)
Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324328
PNG
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324330
PNG
(5-(tert-butyl)-N-(8- (2-((1- ethyl-1H-pyrazol-4- y...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H35N9O3/c1-5-37-17-20(15-30-37)31-27-29-10-8-22(33-27)18-6-7-21-19(14-18)16-36(12-13-38)11-9-23(21)32-24(39)25-34-35-26(40-25)28(2,3)4/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324339
PNG
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368456
PNG
(5-(tert-butyl)-N-(2-(2-((1- methyl-1H-pyrazol-4- y...)
Show SMILES C[N]1=CC(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(s2)C(C)(C)C)=CN1 |c:37,t:1|
Show InChI InChI=1S/C26H31N8OS/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21,28H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324349
PNG
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368378
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324303
PNG
((R)-5-(1,1-difluoro-2- methylpropan-2-yl)- N-(8- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C(F)F)cn1 |r|
Show InChI InChI=1S/C28H31F2N9O3/c1-28(2,25(29)30)26-37-36-24(42-26)23(40)34-22-7-9-39(19-14-41-15-19)12-17-10-16(4-5-20(17)22)21-6-8-31-27(35-21)33-18-11-32-38(3)13-18/h4-6,8,10-11,13,19,22,25H,7,9,12,14-15H2,1-3H3,(H,34,40)(H,31,33,35)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324313
PNG
(5-(tert-butyl)-N-(2- ((R)-2-hydroxypropyl)- 8-(2-(...)
Show SMILES C[C@@H](O)CN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-25(39)24-34-26(40-35-24)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324314
PNG
(5-(tert-butyl)-N-(2-(2- methoxyethyl)-8-(2-((1- me...)
Show SMILES COCCN1CCC(NC(=O)c2noc(n2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C28H35N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-9-11-37(12-13-39-5)16-19-14-18(6-7-21(19)23)22-8-10-29-27(33-22)31-20-15-30-36(4)17-20/h6-8,10,14-15,17,23H,9,11-13,16H2,1-5H3,(H,32,38)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324315
PNG
(5-(tert-butyl)-N-(8- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324323
PNG
(5-tert-butyl-1,3,4- oxadiazole-2-carboxylic acid {...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(C)(C)O)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H37N9O3/c1-28(2,3)26-36-35-25(41-26)24(39)33-23-10-12-38(17-29(4,5)40)15-19-13-18(7-8-21(19)23)22-9-11-30-27(34-22)32-20-14-31-37(6)16-20/h7-9,11,13-14,16,23,40H,10,12,15,17H2,1-6H3,(H,33,39)(H,30,32,34)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324324
PNG
(5-(tert-butyl)-N-(2-(3- hydroxypropyl)- 8-(2-((1- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H35N9O3/c1-28(2,3)26-35-34-25(40-26)24(39)32-23-9-12-37(11-5-13-38)16-19-14-18(6-7-21(19)23)22-8-10-29-27(33-22)31-20-15-30-36(4)17-20/h6-8,10,14-15,17,23,38H,5,9,11-13,16H2,1-4H3,(H,32,39)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324329
PNG
(5-(tert-butyl)-N-((R)-8- (2-((1-ethyl-1H-pyrazol- ...)
Show SMILES CCn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-5-39-17-21(15-32-39)33-29-31-11-8-24(35-29)19-6-7-23-20(14-19)16-38(22-10-13-41-18-22)12-9-25(23)34-26(40)27-36-37-28(42-27)30(2,3)4/h6-8,11,14-15,17,22,25H,5,9-10,12-13,16,18H2,1-4H3,(H,34,40)(H,31,33,35)/t22-,25-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324342
PNG
(5-(tert-butyl)-4-methyl- N-(2-(2-((1-methyl-1H- py...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(n2C)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O/c1-27(2,3)25-34-33-23(36(25)5)24(37)31-22-9-7-6-8-17-14-18(10-11-20(17)22)21-12-13-28-26(32-21)30-19-15-29-35(4)16-19/h10-16,22H,6-9H2,1-5H3,(H,31,37)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368451
PNG
(1-(tert-butyl)-N-((5R)-8- (2-((1-methyl-1H- pyrazo...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CCOC2)NC(=O)C2=NC(N=N2)C(C)(C)C)cn1 |r,c:37,t:34|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)27-35-25(36-37-27)26(40)33-24-8-11-39(21-9-12-41-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-38(4)16-20/h5-7,10,13-14,16,21,24,27H,8-9,11-12,15,17H2,1-4H3,(H,33,40)(H,30,32,34)/t21?,24-,27?/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324234
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324258
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)S(C)(=O)=O)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H31N9O4S/c1-26(2,3)24-32-22(33-39-24)23(36)30-21-9-11-35(40(5,37)38)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-34(4)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324266
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324273
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H37N9O3/c1-18(2)39-15-21(13-32-39)33-29-31-10-8-24(35-29)19-6-7-23-20(12-19)14-38(22-16-41-17-22)11-9-25(23)34-26(40)27-36-37-28(42-27)30(3,4)5/h6-8,10,12-13,15,18,22,25H,9,11,14,16-17H2,1-5H3,(H,34,40)(H,31,33,35)/t25-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324275
PNG
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-34-33-24(39-25)23(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324277
PNG
(5-(tert-butyl)-N—((R)-2-((S)-2-hydroxypropyl)...)
Show SMILES C[C@H](O)CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23+/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324290
PNG
(5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-32-22(33-36-24)23(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324291
PNG
((R)—N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r|
Show InChI InChI=1S/C26H28N8O2/c1-26(10-11-26)24-32-22(33-36-24)23(35)30-21-6-4-3-5-16-13-17(7-8-19(16)21)20-9-12-27-25(31-20)29-18-14-28-34(2)15-18/h7-9,12-15,21H,3-6,10-11H2,1-2H3,(H,30,35)(H,27,29,31)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324304
PNG
(5-(1,1-difluoro-2- methylpropan-2-yl)- N-(2-((S)-2...)
Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C(F)F)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H33F2N9O3/c1-16(40)13-39-10-8-22(34-23(41)24-36-37-26(42-24)28(2,3)25(29)30)20-6-5-17(11-18(20)14-39)21-7-9-31-27(35-21)33-19-12-32-38(4)15-19/h5-7,9,11-12,15-16,22,25,40H,8,10,13-14H2,1-4H3,(H,34,41)(H,31,33,35)/t16-,22?/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324306
PNG
(1-(tert-butyl)-N-(2-ethyl- 8-(2-((1-methyl-1H- pyr...)
Show SMILES CCN1CCC(NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C27H34N10O/c1-6-36-12-10-23(31-25(38)24-17-37(34-33-24)27(2,3)4)21-8-7-18(13-19(21)15-36)22-9-11-28-26(32-22)30-20-14-29-35(5)16-20/h7-9,11,13-14,16-17,23H,6,10,12,15H2,1-5H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324307
PNG
(1-(tert-butyl)-N-(8-(2- ((1-methyl-1H-pyrazol- 4-y...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324308
PNG
(1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(41)33-25-8-10-38(21-12-22(40)13-21)15-19-11-18(5-6-23(19)25)24-7-9-30-28(34-24)32-20-14-31-37(4)16-20/h5-7,9,11,14,16-17,21-22,25,40H,8,10,12-13,15H2,1-4H3,(H,33,41)(H,30,32,34)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM368439
PNG
(5-(tert-butyl)-N-(2- methyl-8-(2-((1-methyl- 1H-py...)
Show SMILES CN1CC[C@@H](NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C26H31N9O2/c1-26(2,3)24-33-32-23(37-24)22(36)30-21-9-11-34(4)14-17-12-16(6-7-19(17)21)20-8-10-27-25(31-20)29-18-13-28-35(5)15-18/h6-8,10,12-13,15,21H,9,11,14H2,1-5H3,(H,30,36)(H,27,29,31)/t21-/m1/s1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324334
PNG
((R)-1-(tert-butyl)-N-(2- (2-hydroxyethyl)-8-(2- ((...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H38N10O2/c1-19(2)38-17-22(15-31-38)32-28-30-10-8-24(34-28)20-6-7-23-21(14-20)16-37(12-13-40)11-9-25(23)33-27(41)26-18-39(36-35-26)29(3,4)5/h6-8,10,14-15,17-19,25,40H,9,11-13,16H2,1-5H3,(H,33,41)(H,30,32,34)/t25-/m1/s1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324337
PNG
(5-(tert-butyl)-N-(2- (2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCCCc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C26H30N8O2/c1-26(2,3)24-33-32-23(36-24)22(35)30-21-8-6-5-7-16-13-17(9-10-19(16)21)20-11-12-27-25(31-20)29-18-14-28-34(4)15-18/h9-15,21H,5-8H2,1-4H3,(H,30,35)(H,27,29,31)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324338
PNG
(N-(2-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nc(no1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324340
PNG
(2-isopropyl-N-(2-(2- ((1-methyl-1H-pyrazol-4- yl)a...)
Show SMILES CC(C)n1ncc(n1)C(=O)NC1CCCCc2cc(ccc12)-c1ccnc(Nc2cnn(C)c2)n1
Show InChI InChI=1S/C25H29N9O/c1-16(2)34-28-14-23(32-34)24(35)30-22-7-5-4-6-17-12-18(8-9-20(17)22)21-10-11-26-25(31-21)29-19-13-27-33(3)15-19/h8-16,22H,4-7H2,1-3H3,(H,30,35)(H,26,29,31)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324341
PNG
(N- ((5R,8S)-8-fluoro-2-(2- ((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CC[C@H](F)Cc3c2)NC(=O)c2noc(n2)C2(C)CC2)cn1 |r|
Show InChI InChI=1S/C26H27FN8O2/c1-26(8-9-26)24-33-22(34-37-24)23(36)31-21-6-4-17(27)12-16-11-15(3-5-19(16)21)20-7-10-28-25(32-20)30-18-13-29-35(2)14-18/h3,5,7,10-11,13-14,17,21H,4,6,8-9,12H2,1-2H3,(H,31,36)(H,28,30,32)/t17-,21+/m0/s1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324261
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-34-24(35-40-26)25(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324262
PNG
(5-(tert-butyl)-N-(2-(3-hydroxycyclobutyl)-8-(2-((1...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |(9.26,-11.9,;7.72,-11.9,;6.81,-13.15,;5.35,-12.67,;4.02,-13.44,;2.68,-12.67,;1.35,-13.44,;.01,-12.67,;.01,-11.13,;1.35,-10.36,;2.68,-11.13,;1.35,-8.82,;2.68,-8.05,;2.68,-6.51,;1.35,-5.74,;1.34,-4.22,;.43,-3.23,;-1.1,-3.35,;-1.87,-4.48,;-1.42,-5.95,;.01,-6.51,;.01,-8.05,;-3.4,-4.25,;-4.26,-2.97,;-5.53,-3.83,;-7.05,-3.53,;-4.67,-5.11,;2.67,-3.45,;4,-4.22,;4,-5.76,;5.34,-3.45,;5.34,-1.91,;6.8,-1.43,;7.71,-2.68,;6.8,-3.92,;9.19,-3.08,;9.59,-4.56,;8.42,-1.74,;9.96,-1.74,;5.35,-11.13,;6.81,-10.65,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-35-25(36-41-27)26(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324264
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-36-26(37-42-28)27(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35)
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324267
PNG
((R)-5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-36-22(37-41-24)23(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)/t21-/m1/s1
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Neuroscience



Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324281
PNG
((R)-1-(tert-butyl)-N-(8-(2-((1-isopropyl-1H-pyrazo...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2COC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C30H38N10O2/c1-19(2)39-15-22(13-32-39)33-29-31-10-8-25(35-29)20-6-7-24-21(12-20)14-38(23-17-42-18-23)11-9-26(24)34-28(41)27-16-40(37-36-27)30(3,4)5/h6-8,10,12-13,15-16,19,23,26H,9,11,14,17-18H2,1-5H3,(H,34,41)(H,31,33,35)/t26-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324282
PNG
(1-(tert-butyl)-N¿((R)-8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324286
PNG
(1-(tert-butyl)-N—((R)-2-((R)-2-hydroxypropyl)...)
Show SMILES C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(nn2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H36N10O2/c1-18(39)14-37-11-9-24(32-26(40)25-17-38(35-34-25)28(2,3)4)22-7-6-19(12-20(22)15-37)23-8-10-29-27(33-23)31-21-13-30-36(5)16-21/h6-8,10,12-13,16-18,24,39H,9,11,14-15H2,1-5H3,(H,32,40)(H,29,31,33)/t18-,24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324289
PNG
((R)-5-(tert-butyl)-N-(2-(2,2-difluoroethyl)-8-(2-(...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CC(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31F2N9O2/c1-27(2,3)25-36-35-24(40-25)23(39)33-21-8-10-38(15-22(28)29)13-17-11-16(5-6-19(17)21)20-7-9-30-26(34-20)32-18-12-31-37(4)14-18/h5-7,9,11-12,14,21-22H,8,10,13,15H2,1-4H3,(H,33,39)(H,30,32,34)/t21-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324292
PNG
((R)-5-(tert-butyl)-N-(2-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2cc(ccn2)-c2ccc3[C@@H](CCCCc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C27H31N7O2/c1-27(2,3)26-32-24(33-36-26)25(35)31-22-8-6-5-7-19-13-17(9-10-21(19)22)18-11-12-28-23(14-18)30-20-15-29-34(4)16-20/h9-16,22H,5-8H2,1-4H3,(H,28,30)(H,31,35)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324299
PNG
((R)-5-(tert-butyl)-N-(3-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCC[C@@H](NC(=O)c4noc(n4)C(C)(C)C)c3cn2)cn1 |r|
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-32-21(33-36-23)22(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(H,26,29,31)/t18-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324320
PNG
(5-(tert-butyl)-N-(2- ((S)-2-hydroxypropyl)- 8-(2-(...)
Show SMILES C[C@H](O)CN1CCC(NC(=O)c2nnc(o2)C(C)(C)C)c2ccc(cc2C1)-c1ccnc(Nc2cnn(C)c2)n1 |r|
Show InChI InChI=1S/C28H35N9O3/c1-17(38)14-37-11-9-23(32-24(39)25-34-35-26(40-25)28(2,3)4)21-7-6-18(12-19(21)15-37)22-8-10-29-27(33-22)31-20-13-30-36(5)16-20/h6-8,10,12-13,16-17,23,38H,9,11,14-15H2,1-5H3,(H,32,39)(H,29,31,33)/t17-,23?/m0/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324325
PNG
(5-(tert-butyl)-N- (8-(2-((1- methyl-1H-pyrazol-4- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CC(F)(F)F)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H30F3N9O2/c1-26(2,3)24-37-36-23(41-24)22(40)34-21-8-10-39(15-27(28,29)30)13-17-11-16(5-6-19(17)21)20-7-9-31-25(35-20)33-18-12-32-38(4)14-18/h5-7,9,11-12,14,21H,8,10,13,15H2,1-4H3,(H,34,40)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324236
PNG
(5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-meth...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1
Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)25-33-23(34-39-25)24(38)31-22-8-10-36(11-12-37)15-18-13-17(5-6-20(18)22)21-7-9-28-26(32-21)30-19-14-29-35(4)16-19/h5-7,9,13-14,16,22,37H,8,10-12,15H2,1-4H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324297
PNG
(5-(tert-butyl)-N-(3-(2-((1-methyl-H-pyrazol-4-yl)a...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2cc3CCCCC(NC(=O)c4nnc(o4)C(C)(C)C)c3cn2)cn1
Show InChI InChI=1S/C25H29N9O2/c1-25(2,3)23-33-32-22(36-23)21(35)30-18-8-6-5-7-15-11-20(27-13-17(15)18)19-9-10-26-24(31-19)29-16-12-28-34(4)14-16/h9-14,18H,5-8H2,1-4H3,(H,30,35)(H,26,29,31)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324317
PNG
((R)-5-(tert-butyl)-N-(2- (3-hydroxycyclobutyl)-8- ...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r,wU:15.30,(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)/t20?,21?,24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324326
PNG
(N-(8-(2-((1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)NC1CCN(Cc2cc(ccc12)-c1ccnc(Nc2cn[nH]c2)n1)C1COC1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324327
PNG
((R)-5-(tert-butyl)-N-(8- (2-((5,6-dihydro-4H- pyrr...)
Show SMILES CC(C)(C)c1nnc(o1)C(=O)N[C@@H]1CCN(CCO)Cc2cc(ccc12)-c1ccnc(Nc2cnn3CCCc23)n1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)32-22-9-12-37(13-14-39)17-19-15-18(6-7-20(19)22)21-8-10-30-28(33-21)34-23-16-31-38-11-4-5-24(23)38/h6-8,10,15-16,22,39H,4-5,9,11-14,17H2,1-3H3,(H,32,40)(H,30,33,34)/t22-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324333
PNG
((R)-5-(tert-butyl)-N-(8- (2-((1,3-dimethyl-1H- pyr...)
Show SMILES Cc1nn(C)cc1Nc1nccc(n1)-c1ccc2[C@@H](CCN(Cc2c1)C1COC1)NC(=O)c1noc(n1)C(C)(C)C |r|
Show InChI InChI=1S/C29H35N9O3/c1-17-24(14-37(5)35-17)33-28-30-10-8-22(32-28)18-6-7-21-19(12-18)13-38(20-15-40-16-20)11-9-23(21)31-26(39)25-34-27(41-36-25)29(2,3)4/h6-8,10,12,14,20,23H,9,11,13,15-16H2,1-5H3,(H,31,39)(H,30,32,33)/t23-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324346
PNG
(N-(2-(2-hydroxyethyl)-8- (2-((1-methyl-1H- pyrazol...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C2(C)CC2)cn1
Show InChI InChI=1S/C27H31N9O3/c1-27(7-8-27)25-34-33-24(39-25)23(38)31-22-6-10-36(11-12-37)15-18-13-17(3-4-20(18)22)21-5-9-28-26(32-21)30-19-14-29-35(2)16-19/h3-5,9,13-14,16,22,37H,6-8,10-12,15H2,1-2H3,(H,31,38)(H,28,30,32)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324268
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CCOCC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C30H37N9O3/c1-30(2,3)28-37-36-27(42-28)26(40)34-25-8-12-39(22-9-13-41-14-10-22)17-20-15-19(5-6-23(20)25)24-7-11-31-29(35-24)33-21-16-32-38(4)18-21/h5-7,11,15-16,18,22,25H,8-10,12-14,17H2,1-4H3,(H,34,40)(H,31,33,35)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324269
PNG
(5-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2COC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1
Show InChI InChI=1S/C28H33N9O3/c1-28(2,3)26-35-34-25(40-26)24(38)32-23-8-10-37(20-15-39-16-20)13-18-11-17(5-6-21(18)23)22-7-9-29-27(33-22)31-19-12-30-36(4)14-19/h5-7,9,11-12,14,20,23H,8,10,13,15-16H2,1-4H3,(H,32,38)(H,29,31,33)
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324272
PNG
((R)-5-(tert-butyl)-N-(2-(2-hydroxyethyl)-8-(2-((1-...)
Show SMILES CC(C)n1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(CCO)Cc3c2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H37N9O3/c1-18(2)38-17-21(15-31-38)32-28-30-10-8-23(34-28)19-6-7-22-20(14-19)16-37(12-13-39)11-9-24(22)33-25(40)26-35-36-27(41-26)29(3,4)5/h6-8,10,14-15,17-18,24,39H,9,11-13,16H2,1-5H3,(H,33,40)(H,30,32,34)/t24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324276
PNG
(5-(tert-butyl)-N—((R)-8-(2-((1-methyl-1H-pyra...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(39)33-24-8-11-38(21-9-12-40-17-21)15-19-13-18(5-6-22(19)24)23-7-10-30-28(34-23)32-20-14-31-37(4)16-20/h5-7,10,13-14,16,21,24H,8-9,11-12,15,17H2,1-4H3,(H,33,39)(H,30,32,34)/t21-,24-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM324282
PNG
(1-(tert-butyl)-N¿((R)-8-(2-((1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3[C@@H](CCN(Cc3c2)[C@@H]2CCOC2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |r|
Show InChI InChI=1S/C29H36N10O2/c1-29(2,3)39-17-26(35-36-39)27(40)33-25-8-11-38(22-9-12-41-18-22)15-20-13-19(5-6-23(20)25)24-7-10-30-28(34-24)32-21-14-31-37(4)16-21/h5-7,10,13-14,16-17,22,25H,8-9,11-12,15,18H2,1-4H3,(H,33,40)(H,30,32,34)/t22-,25-/m1/s1
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Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...

J Med Chem 51: 1730-9 (2008)


BindingDB Entry DOI: 10.7270/Q25M681D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%