Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 610   

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))	BDBM281761 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cc(Cl)ccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.8,-2.22,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H19ClFN3O2/c1-2-21(31)30-9-8-15-13(12-30)4-3-5-16(15)22-19(27)11-18(25(28)32)24-23(22)17-10-14(26)6-7-20(17)29-24/h2-7,10-11,29H,1,8-9,12H2,(H2,28,32)	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	0.000260	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281763 (9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3cnccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C24H19FN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-6,8,10-11,28H,1,7,9,12H2,(H2,26,31)	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	0.000300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281762 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)	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	0.000300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281764 (5-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H24ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2,5-6,8,12,28H,1,3-4,7,9-11,13H2,(H2,27,31)	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	0.000600	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281758 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCF)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)| Show InChI InChI=1S/C27H23F2N3O2/c1-2-23(33)32-11-9-17-16(14-32)4-3-5-18(17)24-21(29)13-20(27(30)34)26-25(24)19-7-6-15(8-10-28)12-22(19)31-26/h2-7,12-13,31H,1,8-11,14H2,(H2,30,34)	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	0.0290	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281750 (5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES CC(C)(O)[C@H]1CCc2c(C1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |r,wD:4.3,(-6.93,-1.58,;-6.93,-.04,;-8.42,-.44,;-8.02,1.05,;-5.44,.36,;-4.54,-.89,;-3.01,-.73,;-2.38,.68,;-3.29,1.92,;-4.82,1.76,;-2.38,3.17,;-.92,2.69,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;.42,5,;1.75,5.78,;-.92,5.77,)| Show InChI	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	0.0450	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281746 (4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.78,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.93,;-2.4,-3.47,;-1.07,-4.24,;.26,-3.47,;1.6,-4.24,;2.93,-3.47,;2.93,-1.93,;1.6,-1.16,;.26,-1.93,;4.26,-4.24,;4.26,-5.78,;5.6,-3.47,;6.93,-4.24,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H20FN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)	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	0.0670	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281754 (US10023534, Example 13 | US10023534, Example 14) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCSc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.6,6.16,;.26,5.39,;-1.07,6.16,;.26,3.85,;1.6,3.08,;1.6,1.54,;2.93,.77,;.26,.77,;.26,-.77,;-1.07,-1.54,;-1.07,-3.08,;.26,-3.85,;1.6,-3.08,;2.93,-3.85,;4.26,-3.08,;4.26,-1.54,;2.93,-.77,;1.6,-1.54,;2.93,-5.39,;1.6,-6.16,;4.26,-6.16,;5.6,-5.39,;-1.07,1.54,;-2.53,1.06,;-3.16,-.34,;-4.69,-.5,;-5.6,.74,;-4.97,2.15,;-3.44,2.31,;-2.53,3.56,;-1.07,3.08,)| Show InChI InChI=1S/C24H18FN3O2S/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.0730	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281745 (US10023534, Example 3 | US10023534, Example 8) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(2.26,6.93,;.93,6.16,;-.4,6.93,;.93,4.62,;2.26,3.85,;2.26,2.31,;3.6,1.54,;.93,1.54,;.93,,;-.4,-.77,;-.4,-2.31,;.93,-3.08,;2.26,-2.31,;3.6,-3.08,;4.93,-2.31,;4.93,-.77,;3.6,,;2.26,-.77,;3.6,-4.62,;2.26,-5.39,;4.93,-5.39,;4.93,-6.93,;-.4,2.31,;-1.87,1.83,;-2.49,.43,;-4.03,.27,;-4.93,1.51,;-4.3,2.92,;-2.77,3.08,;-1.87,4.33,;-.4,3.85,)| Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.0750	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281745 (US10023534, Example 3 | US10023534, Example 8) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCOc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(2.26,6.93,;.93,6.16,;-.4,6.93,;.93,4.62,;2.26,3.85,;2.26,2.31,;3.6,1.54,;.93,1.54,;.93,,;-.4,-.77,;-.4,-2.31,;.93,-3.08,;2.26,-2.31,;3.6,-3.08,;4.93,-2.31,;4.93,-.77,;3.6,,;2.26,-.77,;3.6,-4.62,;2.26,-5.39,;4.93,-5.39,;4.93,-6.93,;-.4,2.31,;-1.87,1.83,;-2.49,.43,;-4.03,.27,;-4.93,1.51,;-4.3,2.92,;-2.77,3.08,;-1.87,4.33,;-.4,3.85,)| Show InChI InChI=1S/C24H18FN3O3/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.0770	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281744 ((RS)-5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12 |(.48,5.78,;-.86,5,;-2.19,5.77,;-.86,3.46,;.48,2.69,;.48,1.15,;1.81,.38,;-.86,.38,;-.86,-1.16,;-2.19,-1.93,;-2.19,-3.47,;-.86,-4.24,;.48,-3.47,;1.81,-4.24,;3.14,-3.47,;3.14,-1.93,;1.81,-1.16,;.48,-1.93,;4.48,-4.24,;4.48,-5.78,;5.81,-3.47,;7.15,-4.24,;-2.19,1.15,;-3.65,.68,;-4.28,-.73,;-5.81,-.89,;-5.81,-2.43,;-7.15,-1.66,;-6.72,.36,;-6.09,1.76,;-4.56,1.92,;-3.65,3.17,;-2.19,2.69,)| Show InChI InChI=1S/C25H22F3N3O2/c1-2-20(32)31-9-7-14-13(12-31)4-3-5-15(14)21-18(26)10-16(24(29)33)23-22(21)17-11-25(27,28)8-6-19(17)30-23/h2-5,10,30H,1,6-9,11-12H2,(H2,29,33)	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	0.120	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281754 (US10023534, Example 13 | US10023534, Example 14) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCSc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(1.6,6.16,;.26,5.39,;-1.07,6.16,;.26,3.85,;1.6,3.08,;1.6,1.54,;2.93,.77,;.26,.77,;.26,-.77,;-1.07,-1.54,;-1.07,-3.08,;.26,-3.85,;1.6,-3.08,;2.93,-3.85,;4.26,-3.08,;4.26,-1.54,;2.93,-.77,;1.6,-1.54,;2.93,-5.39,;1.6,-6.16,;4.26,-6.16,;5.6,-5.39,;-1.07,1.54,;-2.53,1.06,;-3.16,-.34,;-4.69,-.5,;-5.6,.74,;-4.97,2.15,;-3.44,2.31,;-2.53,3.56,;-1.07,3.08,)| Show InChI InChI=1S/C24H18FN3O2S/c1-2-19(29)28-10-11-31-23-14(7-5-9-18(23)28)20-16(25)12-15(24(26)30)22-21(20)13-6-3-4-8-17(13)27-22/h2-9,12,27H,1,10-11H2,(H2,26,30)	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	0.130	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281751 (5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)| Show InChI	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	0.130	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281760 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES CN(C)C(=O)c1ccc2c(c1)[nH]c1c(cc(F)c(-c3cccc4CN(CCc34)C(=O)C=C)c21)C(N)=O |(-6.04,-2.62,;-7.13,-1.53,;-8.62,-1.93,;-6.73,-.04,;-7.82,1.05,;-5.24,.36,;-4.34,-.89,;-2.81,-.73,;-2.18,.68,;-3.09,1.92,;-4.62,1.76,;-2.18,3.17,;-.72,2.69,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;.62,5,;1.95,5.77,;-.72,5.77,)| Show InChI InChI=1S/C28H25FN4O3/c1-4-23(34)33-11-10-17-16(14-33)6-5-7-18(17)24-21(29)13-20(27(30)35)26-25(24)19-9-8-15(12-22(19)31-26)28(36)32(2)3/h4-9,12-13,31H,1,10-11,14H2,2-3H3,(H2,30,35)	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	0.170	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281744 ((RS)-5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CC(F)(F)CCc3[nH]c12 |(.48,5.78,;-.86,5,;-2.19,5.77,;-.86,3.46,;.48,2.69,;.48,1.15,;1.81,.38,;-.86,.38,;-.86,-1.16,;-2.19,-1.93,;-2.19,-3.47,;-.86,-4.24,;.48,-3.47,;1.81,-4.24,;3.14,-3.47,;3.14,-1.93,;1.81,-1.16,;.48,-1.93,;4.48,-4.24,;4.48,-5.78,;5.81,-3.47,;7.15,-4.24,;-2.19,1.15,;-3.65,.68,;-4.28,-.73,;-5.81,-.89,;-5.81,-2.43,;-7.15,-1.66,;-6.72,.36,;-6.09,1.76,;-4.56,1.92,;-3.65,3.17,;-2.19,2.69,)| Show InChI InChI=1S/C25H22F3N3O2/c1-2-20(32)31-9-7-14-13(12-31)4-3-5-15(14)21-18(26)10-16(24(29)33)23-22(21)17-11-25(27,28)8-6-19(17)30-23/h2-5,10,30H,1,6-9,11-12H2,(H2,29,33)	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	0.180	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281748 (4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)| Show InChI InChI=1S/C26H19F4N3O2/c1-2-21(34)33-9-8-15-13(12-33)4-3-5-16(15)22-19(27)11-18(25(31)35)24-23(22)17-7-6-14(26(28,29)30)10-20(17)32-24/h2-7,10-11,32H,1,8-9,12H2,(H2,31,35)	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	0.180	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281756 (4-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccccc3[nH]c12 |(.26,5.78,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.93,;-2.4,-3.47,;-1.07,-4.24,;.26,-3.47,;1.6,-4.24,;2.93,-3.47,;2.93,-1.93,;1.6,-1.16,;.26,-1.93,;4.26,-4.24,;4.26,-5.78,;5.6,-3.47,;6.93,-4.24,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C25H20ClN3O2/c1-2-21(30)29-11-10-15-14(13-29)6-5-8-16(15)22-19(26)12-18(25(27)31)24-23(22)17-7-3-4-9-20(17)28-24/h2-9,12,28H,1,10-11,13H2,(H2,27,31)	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	0.180	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281751 (5-(2-Acryloyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CCC(Cc3[nH]c12)C(F)(F)F |(1.75,5.78,;.42,5,;-.92,5.77,;.42,3.46,;1.75,2.69,;1.75,1.15,;3.08,.38,;.42,.38,;.42,-1.16,;-.92,-1.93,;-.92,-3.47,;.42,-4.24,;1.75,-3.47,;3.08,-4.24,;4.42,-3.47,;4.42,-1.93,;3.08,-1.16,;1.75,-1.93,;5.75,-4.24,;5.75,-5.78,;7.09,-3.47,;8.42,-4.24,;-.92,1.15,;-2.38,.68,;-3.01,-.73,;-4.54,-.89,;-5.44,.36,;-4.82,1.76,;-3.29,1.92,;-2.38,3.17,;-.92,2.69,;-6.98,.2,;-8.51,.04,;-7.14,1.73,;-6.81,-1.34,)| Show InChI	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	0.300	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281753 (4-(5-Acryloyl-2,3,4,5-tetrahydrobenzo[b][1,4]oxaze...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3N(CCCOc23)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F |(3.4,7.13,;2.06,6.36,;.73,7.13,;2.06,4.82,;3.4,4.05,;3.4,2.51,;4.73,1.74,;2.06,1.74,;2.06,.2,;.73,-.57,;.73,-2.11,;2.06,-2.88,;3.4,-2.11,;4.6,-3.07,;6.1,-2.73,;6.77,-1.34,;6.1,.05,;4.6,.39,;3.4,-.57,;4.2,-4.56,;2.72,-4.95,;5.29,-5.64,;4.89,-7.13,;.73,2.51,;-.73,2.04,;-1.36,.63,;-2.89,.47,;-3.8,1.71,;-3.17,3.12,;-1.64,3.28,;-.73,4.53,;.73,4.05,;-5.33,1.55,;-6.86,1.39,;-5.49,3.09,;-5.17,.02,)| Show InChI InChI=1S/C26H19F4N3O3/c1-2-20(34)33-9-4-10-36-24-15(5-3-6-19(24)33)21-17(27)12-16(25(31)35)23-22(21)14-8-7-13(26(28,29)30)11-18(14)32-23/h2-3,5-8,11-12,32H,1,4,9-10H2,(H2,31,35)	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	0.370	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281757 (4-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3ccc(CCO)cc3[nH]c12 |(1.95,5.77,;.62,5,;-.72,5.77,;.62,3.46,;1.95,2.69,;1.95,1.15,;3.28,.38,;.62,.38,;.62,-1.16,;-.72,-1.92,;-.72,-3.46,;.62,-4.23,;1.95,-3.46,;3.28,-4.23,;4.62,-3.46,;4.62,-1.92,;3.28,-1.16,;1.95,-1.92,;5.95,-4.23,;5.95,-5.77,;7.28,-3.46,;8.62,-4.23,;-.72,1.15,;-2.18,.68,;-2.81,-.73,;-4.34,-.89,;-5.24,.36,;-6.73,-.04,;-7.13,-1.53,;-8.62,-1.93,;-4.62,1.76,;-3.09,1.92,;-2.18,3.17,;-.72,2.69,)| Show InChI InChI=1S/C27H24FN3O3/c1-2-23(33)31-10-8-17-16(14-31)4-3-5-18(17)24-21(28)13-20(27(29)34)26-25(24)19-7-6-15(9-11-32)12-22(19)30-26/h2-7,12-13,30,32H,1,8-11,14H2,(H2,29,34)	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	1.5	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281765 (9-(2-acryloyl-1,2,3,4- tetrahydroisoquinolin- 5-yl...) Show SMILES NC(=O)c1cc(Cl)c(-c2cccc3CN(CCc23)C(=O)C=C)c2c3CNCCc3[nH]c12 |(.26,5.77,;-1.07,5,;-2.4,5.77,;-1.07,3.46,;.26,2.69,;.26,1.15,;1.6,.38,;-1.07,.38,;-1.07,-1.16,;-2.4,-1.92,;-2.4,-3.46,;-1.07,-4.23,;.26,-3.46,;1.6,-4.23,;2.93,-3.46,;2.93,-1.92,;1.6,-1.16,;.26,-1.92,;4.26,-4.23,;4.26,-5.77,;5.6,-3.46,;6.93,-4.23,;-2.4,1.15,;-3.87,.68,;-4.49,-.73,;-6.03,-.89,;-6.93,.36,;-6.31,1.76,;-4.77,1.92,;-3.87,3.17,;-2.4,2.69,)| Show InChI InChI=1S/C24H23ClN4O2/c1-2-20(30)29-9-7-14-13(12-29)4-3-5-15(14)21-18(25)10-16(24(26)31)23-22(21)17-11-27-8-6-19(17)28-23/h2-5,10,27-28H,1,6-9,11-12H2,(H2,26,31)	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	2.30	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM281759 (4-(2-cyano-1,2,3,4- tetrahydroisoquinolin- 5-yl)-3...) Show SMILES NC(=O)c1cc(F)c(-c2cccc3CN(CCc23)C#N)c2c3ccc(CCO)cc3[nH]c12 |(2.62,5.39,;1.28,4.62,;-.05,5.39,;1.28,3.08,;2.62,2.31,;2.62,.77,;3.95,,;1.28,,;1.28,-1.54,;-.05,-2.31,;-.05,-3.85,;1.28,-4.62,;2.62,-3.85,;3.95,-4.62,;5.28,-3.85,;5.28,-2.31,;3.95,-1.54,;2.62,-2.31,;6.62,-4.62,;7.95,-5.39,;-.05,.77,;-1.51,.29,;-2.14,-1.11,;-3.67,-1.27,;-4.58,-.03,;-6.07,-.43,;-6.46,-1.91,;-7.95,-2.31,;-3.95,1.38,;-2.42,1.54,;-1.51,2.79,;-.05,2.31,)| Show InChI InChI=1S/C25H21FN4O2/c26-20-11-19(25(28)32)24-23(18-5-4-14(7-9-31)10-21(18)29-24)22(20)17-3-1-2-15-12-30(13-27)8-6-16(15)17/h1-5,10-11,29,31H,6-9,12H2,(H2,28,32)	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	4.80	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10023534 (2018) BindingDB Entry DOI: 10.7270/Q2WW7KQR
					More data for this Ligand-Target Pair