Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 2492   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM324400 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM368510 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324398 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324397 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324396 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324387 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324394 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324393 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324392 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324391 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324390 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324389 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM368497 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM368496 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324368 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324369 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324370 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324371 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324372 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324373 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324374 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324375 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324376 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324377 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324378 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324379 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324380 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324381 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324382 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324383 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324384 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324385 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324386 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324367 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324366 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324365 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324364 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324363 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324362 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324361 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324360 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324359 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324358 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324357 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324356 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324355 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324354 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM368461 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM324353 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
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

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