Compile Data Set for Download or QSAR

Found 462 hits with Last Name = 'horan' and Initial = 'jc'   

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))	BDBM303609 (US10138229, Example 121 | US10875852, Example 121) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@]2(C1)CCCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.34,(-4.74,1.91,;-4.74,.37,;-6.08,-.4,;-3.41,-.4,;-3.41,-1.94,;-4.74,-2.71,;-1.94,-2.42,;-1.04,-1.17,;-1.94,.07,;-1.54,1.56,;-2.63,2.65,;-2.24,4.14,;-.75,4.53,;-.35,6.02,;1.14,6.42,;2.23,5.33,;3.71,5.73,;4.11,7.22,;3.02,8.31,;1.54,7.91,;.34,3.45,;-.06,1.96,;-1.17,-3.75,;.31,-4.15,;-.08,-5.64,;-1.57,-5.24,;-.85,-6.97,;-.08,-8.31,;1.46,-8.31,;2.23,-6.97,;1.46,-5.64,;3.77,-6.97,;4.54,-8.31,;4.54,-5.64,;6.08,-5.64,)| Show InChI InChI=1S/C26H28N6O3/c1-2-21(33)31-12-6-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h2-5,7-10,15,17H,1,6,11-14,16,27H2,(H2,28,34)/t17-,26-	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303609 (US10138229, Example 121 | US10875852, Example 121) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@]2(C1)CCCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.34,(-4.74,1.91,;-4.74,.37,;-6.08,-.4,;-3.41,-.4,;-3.41,-1.94,;-4.74,-2.71,;-1.94,-2.42,;-1.04,-1.17,;-1.94,.07,;-1.54,1.56,;-2.63,2.65,;-2.24,4.14,;-.75,4.53,;-.35,6.02,;1.14,6.42,;2.23,5.33,;3.71,5.73,;4.11,7.22,;3.02,8.31,;1.54,7.91,;.34,3.45,;-.06,1.96,;-1.17,-3.75,;.31,-4.15,;-.08,-5.64,;-1.57,-5.24,;-.85,-6.97,;-.08,-8.31,;1.46,-8.31,;2.23,-6.97,;1.46,-5.64,;3.77,-6.97,;4.54,-8.31,;4.54,-5.64,;6.08,-5.64,)| Show InChI InChI=1S/C26H28N6O3/c1-2-21(33)31-12-6-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h2-5,7-10,15,17H,1,6,11-14,16,27H2,(H2,28,34)/t17-,26-	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303652 (US10138229, Example 164 | US10875852, Example 164) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.35,(6.4,-5.83,;5.06,-6.6,;3.73,-7.37,;2.39,-8.14,;2.39,-9.68,;1.06,-7.37,;-.4,-7.85,;-1.31,-6.6,;-.4,-5.35,;-.01,-3.87,;-1.49,-3.47,;-1.89,-4.96,;-2.26,-2.13,;-1.36,-.89,;-2.26,.36,;-3.73,-.12,;-5.06,.65,;-5.06,2.19,;-6.4,-.12,;-3.73,-1.66,;-5.06,-2.43,;-1.86,1.84,;-.38,2.24,;.02,3.73,;-1.07,4.82,;-.67,6.31,;.82,6.71,;1.22,8.19,;.13,9.28,;2.7,8.59,;1.62,9.68,;-2.55,4.42,;-2.95,2.93,;1.06,-5.83,)| Show InChI InChI=1S/C23H24F3N5O3/c1-2-3-17(32)30-9-8-22(12-30)10-15(11-22)31-20(27)18(21(28)33)19(29-31)14-4-6-16(7-5-14)34-13-23(24,25)26/h4-7,15H,8-13,27H2,1H3,(H2,28,33)/t15-,22-	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303606 (US10138229, Example 118 | US10138229, Example 119 ...) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-6-21(33)31-12-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h3-5,7-10,15,17H,11-14,16,27H2,1H3,(H2,28,34)/t17-,26+	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303606 (US10138229, Example 118 | US10138229, Example 119 ...) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-6-21(33)31-12-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h3-5,7-10,15,17H,11-14,16,27H2,1H3,(H2,28,34)/t17-,26+	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303652 (US10138229, Example 164 | US10875852, Example 164) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.35,(6.4,-5.83,;5.06,-6.6,;3.73,-7.37,;2.39,-8.14,;2.39,-9.68,;1.06,-7.37,;-.4,-7.85,;-1.31,-6.6,;-.4,-5.35,;-.01,-3.87,;-1.49,-3.47,;-1.89,-4.96,;-2.26,-2.13,;-1.36,-.89,;-2.26,.36,;-3.73,-.12,;-5.06,.65,;-5.06,2.19,;-6.4,-.12,;-3.73,-1.66,;-5.06,-2.43,;-1.86,1.84,;-.38,2.24,;.02,3.73,;-1.07,4.82,;-.67,6.31,;.82,6.71,;1.22,8.19,;.13,9.28,;2.7,8.59,;1.62,9.68,;-2.55,4.42,;-2.95,2.93,;1.06,-5.83,)| Show InChI InChI=1S/C23H24F3N5O3/c1-2-3-17(32)30-9-8-22(12-30)10-15(11-22)31-20(27)18(21(28)33)19(29-31)14-4-6-16(7-5-14)34-13-23(24,25)26/h4-7,15H,8-13,27H2,1H3,(H2,28,33)/t15-,22-	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303642 (US10138229, Example 154 | US10875852, Example 154) Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(.82,8.19,;-.67,7.79,;-1.07,6.31,;.02,5.22,;-.38,3.73,;-1.86,3.33,;-2.95,4.42,;-2.55,5.91,;-2.26,1.84,;-1.36,.6,;-2.26,-.65,;-1.49,-1.98,;-.01,-2.38,;-.4,-3.87,;-1.89,-3.47,;-1.31,-5.11,;-.4,-6.36,;1.06,-5.88,;1.06,-4.34,;2.39,-6.65,;2.39,-8.19,;3.73,-5.88,;5.06,-5.11,;6.4,-4.34,;-3.73,-.17,;-5.06,-.94,;-3.73,1.37,;-5.06,2.14,;-5.06,3.68,;-6.4,1.37,)| Show InChI InChI=1S/C22H25N5O3/c1-3-4-17(28)26-10-9-22(13-26)11-15(12-22)27-20(23)18(21(24)29)19(25-27)14-5-7-16(30-2)8-6-14/h5-8,15H,9-13,23H2,1-2H3,(H2,24,29)/t15-,22-	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303642 (US10138229, Example 154 | US10875852, Example 154) Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:11.11,13.16,wD:13.20,(.82,8.19,;-.67,7.79,;-1.07,6.31,;.02,5.22,;-.38,3.73,;-1.86,3.33,;-2.95,4.42,;-2.55,5.91,;-2.26,1.84,;-1.36,.6,;-2.26,-.65,;-1.49,-1.98,;-.01,-2.38,;-.4,-3.87,;-1.89,-3.47,;-1.31,-5.11,;-.4,-6.36,;1.06,-5.88,;1.06,-4.34,;2.39,-6.65,;2.39,-8.19,;3.73,-5.88,;5.06,-5.11,;6.4,-4.34,;-3.73,-.17,;-5.06,-.94,;-3.73,1.37,;-5.06,2.14,;-5.06,3.68,;-6.4,1.37,)| Show InChI InChI=1S/C22H25N5O3/c1-3-4-17(28)26-10-9-22(13-26)11-15(12-22)27-20(23)18(21(24)29)19(25-27)14-5-7-16(30-2)8-6-14/h5-8,15H,9-13,23H2,1-2H3,(H2,24,29)/t15-,22-	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303586 (US10138229, Example 98 | US10875852, Example 98) Show SMILES CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.40,wD:11.10,(7.28,-7.01,;5.95,-7.78,;5.95,-9.32,;4.61,-7.01,;3.28,-7.78,;1.95,-7.01,;.61,-7.78,;.61,-9.32,;-.72,-7.01,;-2.19,-7.49,;-3.09,-6.24,;-2.19,-5,;-1.42,-3.66,;-2.75,-2.89,;-3.52,-4.23,;-3.15,-1.4,;-2.24,-.16,;-3.15,1.09,;-4.61,.61,;-5.95,1.38,;-5.95,2.92,;-7.28,.61,;-4.61,-.93,;-5.95,-1.7,;-2.75,2.57,;-1.26,2.97,;-.86,4.46,;-1.95,5.55,;-1.55,7.04,;-.07,7.44,;1.02,6.35,;2.51,6.75,;2.91,8.23,;1.82,9.32,;.33,8.92,;-3.44,5.15,;-3.84,3.66,;-.72,-5.47,)| Show InChI InChI=1S/C29H34N6O3/c1-33(2)15-6-9-24(36)34-16-14-29(19-34)17-21(18-29)35-27(30)25(28(31)37)26(32-35)20-10-12-23(13-11-20)38-22-7-4-3-5-8-22/h3-13,21H,14-19,30H2,1-2H3,(H2,31,37)/b9-6+/t21-,29+	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303639 (US10138229, Example 151 | US10875852, Example 151) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-5-21(33)31-13-11-26(16-31)14-18(15-26)32-24(27)22(25(28)34)23(30-32)17-7-9-19(10-8-17)35-20-6-3-4-12-29-20/h3-4,6-10,12,18H,11,13-16,27H2,1H3,(H2,28,34)/t18-,26-	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303639 (US10138229, Example 151 | US10875852, Example 151) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccn3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.22,8.74,;2.7,9.14,;3.79,8.05,;3.4,6.56,;1.91,6.16,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-5-21(33)31-13-11-26(16-31)14-18(15-26)32-24(27)22(25(28)34)23(30-32)17-7-9-19(10-8-17)35-20-6-3-4-12-29-20/h3-4,6-10,12,18H,11,13-16,27H2,1H3,(H2,28,34)/t18-,26-	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303586 (US10138229, Example 98 | US10875852, Example 98) Show SMILES CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.40,wD:11.10,(7.28,-7.01,;5.95,-7.78,;5.95,-9.32,;4.61,-7.01,;3.28,-7.78,;1.95,-7.01,;.61,-7.78,;.61,-9.32,;-.72,-7.01,;-2.19,-7.49,;-3.09,-6.24,;-2.19,-5,;-1.42,-3.66,;-2.75,-2.89,;-3.52,-4.23,;-3.15,-1.4,;-2.24,-.16,;-3.15,1.09,;-4.61,.61,;-5.95,1.38,;-5.95,2.92,;-7.28,.61,;-4.61,-.93,;-5.95,-1.7,;-2.75,2.57,;-1.26,2.97,;-.86,4.46,;-1.95,5.55,;-1.55,7.04,;-.07,7.44,;1.02,6.35,;2.51,6.75,;2.91,8.23,;1.82,9.32,;.33,8.92,;-3.44,5.15,;-3.84,3.66,;-.72,-5.47,)| Show InChI InChI=1S/C29H34N6O3/c1-33(2)15-6-9-24(36)34-16-14-29(19-34)17-21(18-29)35-27(30)25(28(31)37)26(32-35)20-10-12-23(13-11-20)38-22-7-4-3-5-8-22/h3-13,21H,14-19,30H2,1-2H3,(H2,31,37)/b9-6+/t21-,29+	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303543 (US10138229, Example 54 | US10266513, Example 127 |...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303528 (US10138229, Example 41 | US10875852, Example 41) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C26H25N5O3/c1-2-6-21(32)30-15-26(16-30)13-18(14-26)31-24(27)22(25(28)33)23(29-31)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,18H,13-16,27H2,1H3,(H2,28,33)	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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303543 (US10138229, Example 54 | US10266513, Example 127 |...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303528 (US10138229, Example 41 | US10875852, Example 41) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C26H25N5O3/c1-2-6-21(32)30-15-26(16-30)13-18(14-26)31-24(27)22(25(28)33)23(29-31)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,18H,13-16,27H2,1H3,(H2,28,33)	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	0.730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143328 (US8940893, 13) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:10.12,wD:8.8,(-10.43,-5.25,;-8.89,-5.25,;-7.35,-5.25,;-5.81,-5.25,;-5.04,-6.58,;-5.04,-3.92,;-5.52,-2.45,;-4.27,-1.55,;-3.03,-2.45,;-1.69,-3.22,;-.92,-1.89,;-2.26,-1.12,;.57,-1.49,;1.19,-.08,;2.73,-.08,;3.5,1.25,;2.73,2.58,;3.5,3.92,;5.04,3.92,;5.81,5.25,;7.35,5.25,;8.12,3.92,;9.66,3.92,;10.43,5.25,;9.66,6.58,;8.12,6.58,;5.81,2.58,;5.04,1.25,;3.04,-1.75,;4.38,-2.52,;5.71,-1.75,;4.38,-4.06,;3.04,-4.83,;1.71,-4.06,;1.71,-2.52,;-3.5,-3.92,)| Show InChI InChI=1S/C27H25N7O2/c1-2-6-22(35)33-12-11-27(16-33)13-18(14-27)34-26-23(25(28)30-17-31-26)24(32-34)21-10-9-20(15-29-21)36-19-7-4-3-5-8-19/h3-5,7-10,15,17-18H,11-14,16H2,1H3,(H2,28,30,31)/t18-,27+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303521 (US10138229, Example 35 | US10875852, Example 35) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C Show InChI InChI=1S/C25H25N5O3/c1-2-20(31)29-14-25(15-29)12-17(13-25)30-23(26)21(24(27)32)22(28-30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17H,1,12-15,26H2,(H2,27,32)	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303521 (US10138229, Example 35 | US10875852, Example 35) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(C1)CN(C2)C(=O)C=C Show InChI InChI=1S/C25H25N5O3/c1-2-20(31)29-14-25(15-29)12-17(13-25)30-23(26)21(24(27)32)22(28-30)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17H,1,12-15,26H2,(H2,27,32)	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303579 (US10138229, Example 91 | US10875852, Example 91) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C27H27N5O3/c1-2-6-22(33)31-14-13-27(17-31)15-19(16-27)32-25(28)23(26(29)34)24(30-32)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,19H,13-17,28H2,1H3,(H2,29,34)/t19-,27-	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303569 (US10138229, Example 81 | US10875852, Example 81) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)| Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)30-13-12-26(16-30)14-18(15-26)31-24(27)22(25(28)33)23(29-31)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,18H,1,12-16,27H2,(H2,28,33)/t18-,26+	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303569 (US10138229, Example 81 | US10875852, Example 81) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)| Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)30-13-12-26(16-30)14-18(15-26)31-24(27)22(25(28)33)23(29-31)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,18H,1,12-16,27H2,(H2,28,33)/t18-,26+	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303579 (US10138229, Example 91 | US10875852, Example 91) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C27H27N5O3/c1-2-6-22(33)31-14-13-27(17-31)15-19(16-27)32-25(28)23(26(29)34)24(30-32)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,19H,13-17,28H2,1H3,(H2,29,34)/t19-,27-	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303638 (US10138229, Example 150 | US10875852, Example 150) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-6-21(33)31-12-11-26(16-31)13-18(14-26)32-24(27)22(25(28)34)23(30-32)17-9-10-20(29-15-17)35-19-7-4-3-5-8-19/h3-5,7-10,15,18H,11-14,16,27H2,1H3,(H2,28,34)/t18-,26-	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303638 (US10138229, Example 150 | US10875852, Example 150) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)nc2)C1 |r,wU:10.12,8.7,wD:8.37,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;.02,4.28,;-.38,2.79,;1.06,-5.29,)| Show InChI InChI=1S/C26H26N6O3/c1-2-6-21(33)31-12-11-26(16-31)13-18(14-26)32-24(27)22(25(28)34)23(30-32)17-9-10-20(29-15-17)35-19-7-4-3-5-8-19/h3-5,7-10,15,18H,11-14,16,27H2,1H3,(H2,28,34)/t18-,26-	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303588 (US10138229, Example 100 | US10875852, Example 100) Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C28H32N6O3/c1-32(2)14-6-9-23(35)33-17-28(18-33)15-20(16-28)34-26(29)24(27(30)36)25(31-34)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,20H,14-18,29H2,1-2H3,(H2,30,36)/b9-6+	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303585 (US10138229, Example 97 | US10875852, Example 97) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(CC(C2)NC(=O)C=C)C1 Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)29-17-12-26(13-17)14-18(15-26)31-24(27)22(25(28)33)23(30-31)16-8-10-20(11-9-16)34-19-6-4-3-5-7-19/h2-11,17-18H,1,12-15,27H2,(H2,28,33)(H,29,32)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303588 (US10138229, Example 100 | US10875852, Example 100) Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C28H32N6O3/c1-32(2)14-6-9-23(35)33-17-28(18-33)15-20(16-28)34-26(29)24(27(30)36)25(31-34)19-10-12-22(13-11-19)37-21-7-4-3-5-8-21/h3-13,20H,14-18,29H2,1-2H3,(H2,30,36)/b9-6+	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303585 (US10138229, Example 97 | US10875852, Example 97) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(CC(C2)NC(=O)C=C)C1 Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)29-17-12-26(13-17)14-18(15-26)31-24(27)22(25(28)33)23(30-31)16-8-10-20(11-9-16)34-19-6-4-3-5-7-19/h2-11,17-18H,1,12-15,27H2,(H2,28,33)(H,29,32)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143318 (US8940893, 3) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc23)C1 Show InChI InChI=1S/C27H24N6O2/c1-2-6-22(34)32-15-27(16-32)13-19(14-27)33-26-23(25(28)29-17-30-26)24(31-33)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,17,19H,13-16H2,1H3,(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143321 (US8940893, 6) Show SMILES Cn1c(Cc2ccccc2)ncc(-c2ccc(-c3nn(C4CC5(C4)CN(C5)C(=O)C=C)c4ncnc(N)c34)c(F)c2)c1=O Show InChI InChI=1S/C32H29FN8O2/c1-3-26(42)40-16-32(17-40)13-21(14-32)41-30-27(29(34)36-18-37-30)28(38-41)22-10-9-20(12-24(22)33)23-15-35-25(39(2)31(23)43)11-19-7-5-4-6-8-19/h3-10,12,15,18,21H,1,11,13-14,16-17H2,2H3,(H2,34,36,37)	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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303598 (US10138229, Example 110 | US10875852, Example 110) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 Show InChI InChI=1S/C25H24N6O3/c1-2-6-20(32)30-14-25(15-30)11-16(12-25)31-23(26)21(24(27)33)22(29-31)19-10-9-18(13-28-19)34-17-7-4-3-5-8-17/h3-5,7-10,13,16H,11-12,14-15,26H2,1H3,(H2,27,33)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303598 (US10138229, Example 110 | US10875852, Example 110) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 Show InChI InChI=1S/C25H24N6O3/c1-2-6-20(32)30-14-25(15-30)11-16(12-25)31-23(26)21(24(27)33)22(29-31)19-10-9-18(13-28-19)34-17-7-4-3-5-8-17/h3-5,7-10,13,16H,11-12,14-15,26H2,1H3,(H2,27,33)	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	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143320 (US8940893, 5) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CCN(C2)C(=O)C=C |(3.23,-2.27,;1.69,-2.27,;.92,-3.61,;-.62,-3.61,;-1.39,-2.27,;-.62,-.94,;-1.1,.53,;.15,1.43,;1.39,.53,;2.72,1.3,;2.72,2.84,;4.06,3.61,;5.39,2.84,;6.73,3.61,;8.06,2.84,;9.39,3.61,;10.73,2.84,;10.73,1.3,;9.39,.53,;8.06,1.3,;5.39,1.3,;4.06,.53,;.92,-.94,;-2.59,.92,;-3.36,2.26,;-4.69,1.49,;-3.92,.15,;-5.6,2.73,;-7.06,2.26,;-7.06,.72,;-5.6,.24,;-8.15,-.37,;-7.75,-1.86,;-9.64,.03,;-10.73,-1.06,)| Show InChI InChI=1S/C27H26N6O2/c1-2-22(34)32-13-12-27(16-32)14-19(15-27)33-26-23(25(28)29-17-30-26)24(31-33)18-8-10-21(11-9-18)35-20-6-4-3-5-7-20/h2-11,17,19H,1,12-16H2,(H2,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303580 (US10138229, Example 92 | US10875852, Example 92) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C27H27N5O3/c1-2-6-22(33)31-14-13-27(17-31)15-19(16-27)32-25(28)23(26(29)34)24(30-32)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,19H,13-17,28H2,1H3,(H2,29,34)/t19-,27+	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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303580 (US10138229, Example 92 | US10875852, Example 92) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:10.12,8.37,wD:8.7,(6.4,-5.29,;5.06,-6.06,;3.73,-6.83,;2.39,-7.6,;2.39,-9.14,;1.06,-6.83,;-.4,-7.3,;-1.31,-6.06,;-.4,-4.81,;-.01,-3.32,;-1.49,-2.92,;-1.89,-4.41,;-2.26,-1.59,;-1.36,-.34,;-2.26,.9,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,;-3.73,-1.11,;-5.06,-1.88,;-1.86,2.39,;-.38,2.79,;.02,4.28,;-1.07,5.36,;-.67,6.85,;.82,7.25,;1.91,6.16,;3.4,6.56,;3.79,8.05,;2.7,9.14,;1.22,8.74,;-2.55,4.97,;-2.95,3.48,;1.06,-5.29,)| Show InChI InChI=1S/C27H27N5O3/c1-2-6-22(33)31-14-13-27(17-31)15-19(16-27)32-25(28)23(26(29)34)24(30-32)18-9-11-21(12-10-18)35-20-7-4-3-5-8-20/h3-5,7-12,19H,13-17,28H2,1H3,(H2,29,34)/t19-,27+	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	0.890	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303628 (US10138229, Example 140 | US10875852, Example 140) Show SMILES CCCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:13.13,15.18,wD:15.22,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)| Show InChI InChI=1S/C24H29N5O3/c1-3-5-19(30)28-11-10-24(15-28)13-17(14-24)29-22(25)20(23(26)31)21(27-29)16-6-8-18(9-7-16)32-12-4-2/h6-9,17H,4,10-15,25H2,1-2H3,(H2,26,31)/t17-,24-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303655 (US10138229, Example 167 | US10875852, Example 167) Show SMILES CCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:12.12,14.17,wD:14.21,(1.22,8.94,;.82,7.45,;-.67,7.05,;-1.07,5.56,;.02,4.47,;-.38,2.99,;-1.86,2.59,;-2.95,3.68,;-2.55,5.16,;-2.26,1.1,;-1.36,-.15,;-2.26,-1.39,;-1.49,-2.72,;-.01,-3.12,;-.4,-4.61,;-1.89,-4.21,;-1.31,-5.86,;-.4,-7.1,;1.06,-6.63,;1.06,-5.09,;2.39,-7.4,;2.39,-8.94,;3.73,-6.63,;5.06,-5.86,;6.4,-5.09,;-3.73,-.92,;-5.06,-1.69,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,)| Show InChI InChI=1S/C23H27N5O3/c1-3-5-18(29)27-11-10-23(14-27)12-16(13-23)28-21(24)19(22(25)30)20(26-28)15-6-8-17(9-7-15)31-4-2/h6-9,16H,4,10-14,24H2,1-2H3,(H2,25,30)/t16-,23-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303616 (US10138229, Example 128 | US10875852, Example 128) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)| Show InChI InChI=1S/C22H22F3N5O2/c1-2-3-16(31)29-9-8-21(12-29)10-15(11-21)30-19(26)17(20(27)32)18(28-30)13-4-6-14(7-5-13)22(23,24)25/h4-7,15H,8-12,26H2,1H3,(H2,27,32)/t15-,21-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303655 (US10138229, Example 167 | US10875852, Example 167) Show SMILES CCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:12.12,14.17,wD:14.21,(1.22,8.94,;.82,7.45,;-.67,7.05,;-1.07,5.56,;.02,4.47,;-.38,2.99,;-1.86,2.59,;-2.95,3.68,;-2.55,5.16,;-2.26,1.1,;-1.36,-.15,;-2.26,-1.39,;-1.49,-2.72,;-.01,-3.12,;-.4,-4.61,;-1.89,-4.21,;-1.31,-5.86,;-.4,-7.1,;1.06,-6.63,;1.06,-5.09,;2.39,-7.4,;2.39,-8.94,;3.73,-6.63,;5.06,-5.86,;6.4,-5.09,;-3.73,-.92,;-5.06,-1.69,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,)| Show InChI InChI=1S/C23H27N5O3/c1-3-5-18(29)27-11-10-23(14-27)12-16(13-23)28-21(24)19(22(25)30)20(26-28)15-6-8-17(9-7-15)31-4-2/h6-9,16H,4,10-14,24H2,1-2H3,(H2,25,30)/t16-,23-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303628 (US10138229, Example 140 | US10875852, Example 140) Show SMILES CCCOc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O |r,wU:13.13,15.18,wD:15.22,(2.7,9.14,;1.22,8.74,;.82,7.25,;-.67,6.85,;-1.07,5.36,;.02,4.28,;-.38,2.79,;-1.86,2.39,;-2.95,3.48,;-2.55,4.97,;-2.26,.9,;-1.36,-.34,;-2.26,-1.59,;-1.49,-2.92,;-.01,-3.32,;-.4,-4.81,;-1.89,-4.41,;-1.31,-6.06,;-.4,-7.3,;1.06,-6.83,;1.06,-5.29,;2.39,-7.6,;2.39,-9.14,;3.73,-6.83,;5.06,-6.06,;6.4,-5.29,;-3.73,-1.11,;-5.06,-1.88,;-3.73,.43,;-5.06,1.2,;-5.06,2.74,;-6.4,.43,)| Show InChI InChI=1S/C24H29N5O3/c1-3-5-19(30)28-11-10-24(15-28)13-17(14-24)29-22(25)20(23(26)31)21(27-29)16-6-8-18(9-7-16)32-12-4-2/h6-9,17H,4,10-15,25H2,1-2H3,(H2,26,31)/t17-,24-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303616 (US10138229, Example 128 | US10875852, Example 128) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(cc2)C(F)(F)F)C1 |r,wU:10.12,8.7,wD:8.33,(6.4,-4.89,;5.06,-5.66,;3.73,-6.43,;2.39,-7.2,;2.39,-8.74,;1.06,-6.43,;-.4,-6.9,;-1.31,-5.66,;-.4,-4.41,;-.01,-2.92,;-1.49,-2.53,;-1.89,-4.01,;-2.26,-1.19,;-1.36,.05,;-2.26,1.3,;-3.73,.82,;-5.06,1.59,;-5.06,3.13,;-6.4,.82,;-3.73,-.72,;-5.06,-1.49,;-1.86,2.79,;-.38,3.19,;.02,4.67,;-1.07,5.76,;-2.55,5.36,;-2.95,3.88,;-.67,7.25,;.82,7.65,;-1.76,8.34,;-.27,8.74,;1.06,-4.89,)| Show InChI InChI=1S/C22H22F3N5O2/c1-2-3-16(31)29-9-8-21(12-29)10-15(11-21)30-19(26)17(20(27)32)18(28-30)13-4-6-14(7-5-13)22(23,24)25/h4-7,15H,8-12,26H2,1H3,(H2,27,32)/t15-,21-	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303568 (US10138229, Example 80 | US10875852, Example 80) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)| Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)30-13-12-26(16-30)14-18(15-26)31-24(27)22(25(28)33)23(29-31)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,18H,1,12-16,27H2,(H2,28,33)/t18-,26-	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	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303568 (US10138229, Example 80 | US10875852, Example 80) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.29,wD:24.33,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;.29,2.79,;.69,4.28,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;-1.89,4.97,;-2.29,3.48,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)| Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)30-13-12-26(16-30)14-18(15-26)31-24(27)22(25(28)33)23(29-31)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,18H,1,12-16,27H2,(H2,28,33)/t18-,26-	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	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143316 (US8940893, 1) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CC2(C1)CN(C2)C(=O)C=C Show InChI InChI=1S/C26H24N6O2/c1-2-21(33)31-14-26(15-31)12-18(13-26)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H2,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303533 (US10138229, Example 44 | US10875852, Example 44 | ...) Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H21N5O3/c1-2-17(27)24-12-13-26-20(22)18(21(23)28)19(25-26)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h2-11H,1,12-13,22H2,(H2,23,28)(H,24,27)	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
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US10875852 (2020) BindingDB Entry DOI: 10.7270/Q2DN484H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303533 (US10138229, Example 44 | US10875852, Example 44 | ...) Show SMILES NC(=O)c1c(N)n(CCNC(=O)C=C)nc1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H21N5O3/c1-2-17(27)24-12-13-26-20(22)18(21(23)28)19(25-26)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h2-11H,1,12-13,22H2,(H2,23,28)(H,24,27)	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
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM143327 (US8940893, 12) Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-14-26(15-32)11-17(12-26)33-25-22(24(27)29-16-30-25)23(31-33)20-10-9-19(13-28-20)35-18-7-4-3-5-8-18/h3-5,7-10,13,16-17H,11-12,14-15H2,1H3,(H2,27,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description An HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...				US Patent US8940893 (2015) BindingDB Entry DOI: 10.7270/Q2PV6J3P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303547 (US10138229, Example 58 | US10875852, Example 58) Show SMILES CC#CC(=O)N1CC2(CC(C2)c2nc(c(s2)C(N)=O)-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C26H23N3O3S/c1-2-6-21(30)29-15-26(16-29)13-18(14-26)25-28-22(23(33-25)24(27)31)17-9-11-20(12-10-17)32-19-7-4-3-5-8-19/h3-5,7-12,18H,13-16H2,1H3,(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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303605 (BDBM303608 | US10138229, Example 117 | US10875852,...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)C=C |r,wU:22.24,24.33,wD:24.29,(-4.39,2.74,;-4.39,1.2,;-5.73,.43,;-3.06,.43,;-3.06,-1.11,;-4.39,-1.88,;-1.6,-1.59,;-.69,-.34,;-1.6,.9,;-1.2,2.39,;-2.29,3.48,;-1.89,4.97,;-.4,5.36,;-0,6.85,;1.49,7.25,;2.57,6.16,;4.06,6.56,;4.46,8.05,;3.37,9.14,;1.88,8.74,;.69,4.28,;.29,2.79,;-.83,-2.92,;.66,-3.32,;.26,-4.81,;-1.22,-4.41,;-.64,-6.06,;.26,-7.3,;1.73,-6.83,;1.73,-5.29,;3.06,-7.6,;3.06,-9.14,;4.39,-6.83,;5.73,-7.6,)| Show InChI InChI=1S/C25H26N6O3/c1-2-20(32)30-11-10-25(15-30)12-16(13-25)31-23(26)21(24(27)33)22(29-31)19-9-8-18(14-28-19)34-17-6-4-3-5-7-17/h2-9,14,16H,1,10-13,15,26H2,(H2,27,33)/t16-,25+	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair

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