Compile Data Set for Download or QSAR

Found 444 hits with Last Name = 'westbrook' and Initial = 'j'   

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))	BDBM435486 (US10570118, Example 40) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(cc(F)c2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-4.87,7.57,;-4.87,6.03,;-3.62,5.12,;-4.1,3.66,;-5.64,3.66,;-6.12,5.12,;-7.45,5.89,;-7.45,7.43,;-8.78,5.12,;-3.33,2.32,;-4.1,.99,;-3.33,-.34,;-1.79,-.34,;-1.02,.99,;-1.79,2.32,;-1.02,3.66,;-1.79,4.99,;.52,.99,;1.29,-.34,;2.83,-.34,;3.6,.99,;5.14,.99,;5.91,2.32,;5.14,3.66,;3.6,3.66,;2.83,4.99,;2.83,2.32,;1.29,2.32,;.52,3.66,;7.45,2.32,;8.78,1.55,;8.78,3.09,;.52,-1.68,;-.97,-2.08,;-.57,-3.56,;.92,-3.17,;-1.34,-4.9,;-2.88,-4.9,;-.57,-6.23,;-1.34,-7.57,)| Show InChI InChI=1S/C31H29FN4O4/c1-3-28(38)35-14-21(15-35)26-11-19-9-18(17-7-8-17)10-24(32)29(19)31(40)36(26)25-6-4-5-22(23(25)16-37)20-12-27(30(33)39)34(2)13-20/h3-6,9-13,17,21,37H,1,7-8,14-16H2,2H3,(H2,33,39)	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	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435467 (US10570118, Example 21) Show SMILES Nc1cc(ncn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-2.8,5.02,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)| Show InChI InChI=1S/C29H27N5O3/c1-2-28(36)33-13-20(14-33)26-11-19-10-18(17-6-7-17)8-9-21(19)29(37)34(26)25-5-3-4-22(23(25)15-35)24-12-27(30)32-16-31-24/h2-5,8-12,16-17,20,35H,1,6-7,13-15H2,(H2,30,31,32)	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435452 (US10570118, Example 42 | US10570118, Example 43 | ...) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-4.87,7.57,;-4.87,6.03,;-3.62,5.12,;-4.1,3.66,;-5.64,3.66,;-6.12,5.12,;-7.45,5.89,;-7.45,7.43,;-8.78,5.12,;-3.33,2.32,;-4.1,.99,;-3.33,-.34,;-1.79,-.34,;-1.02,.99,;-1.79,2.32,;-1.02,3.66,;-1.79,4.99,;.52,.99,;1.29,-.34,;2.83,-.34,;3.6,.99,;5.14,.99,;5.91,2.32,;5.14,3.66,;3.6,3.66,;2.83,2.32,;1.29,2.32,;.52,3.66,;7.45,2.32,;8.78,1.55,;8.78,3.09,;.52,-1.68,;-.97,-2.08,;-.57,-3.56,;.92,-3.17,;-1.34,-4.9,;-2.88,-4.9,;-.57,-6.23,;-1.34,-7.57,)| Show InChI InChI=1S/C31H30N4O4/c1-3-29(37)34-15-22(16-34)27-12-20-11-19(18-7-8-18)9-10-24(20)31(39)35(27)26-6-4-5-23(25(26)17-36)21-13-28(30(32)38)33(2)14-21/h3-6,9-14,18,22,36H,1,7-8,15-17H2,2H3,(H2,32,38)	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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435452 (US10570118, Example 42 | US10570118, Example 43 | ...) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-4.87,7.57,;-4.87,6.03,;-3.62,5.12,;-4.1,3.66,;-5.64,3.66,;-6.12,5.12,;-7.45,5.89,;-7.45,7.43,;-8.78,5.12,;-3.33,2.32,;-4.1,.99,;-3.33,-.34,;-1.79,-.34,;-1.02,.99,;-1.79,2.32,;-1.02,3.66,;-1.79,4.99,;.52,.99,;1.29,-.34,;2.83,-.34,;3.6,.99,;5.14,.99,;5.91,2.32,;5.14,3.66,;3.6,3.66,;2.83,2.32,;1.29,2.32,;.52,3.66,;7.45,2.32,;8.78,1.55,;8.78,3.09,;.52,-1.68,;-.97,-2.08,;-.57,-3.56,;.92,-3.17,;-1.34,-4.9,;-2.88,-4.9,;-.57,-6.23,;-1.34,-7.57,)| Show InChI InChI=1S/C31H30N4O4/c1-3-29(37)34-15-22(16-34)27-12-20-11-19(18-7-8-18)9-10-24(20)31(39)35(27)26-6-4-5-23(25(26)17-36)21-13-28(30(32)38)33(2)14-21/h3-6,9-14,18,22,36H,1,7-8,15-17H2,2H3,(H2,32,38)	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 A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435446 (US10570118, Example 1) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-4.87,6.9,;-4.87,5.36,;-3.62,4.45,;-4.1,2.99,;-5.64,2.99,;-6.12,4.45,;-7.45,5.22,;-7.45,6.76,;-8.78,4.45,;-3.33,1.66,;-4.1,.32,;-3.33,-1.01,;-1.79,-1.01,;-1.02,.32,;-1.79,1.66,;-1.02,2.99,;-1.79,4.32,;.52,.32,;1.29,-1.01,;2.83,-1.01,;3.6,.32,;5.14,.32,;5.91,1.66,;5.14,2.99,;3.6,2.99,;2.83,1.66,;1.29,1.66,;.52,2.99,;7.45,1.66,;8.78,.89,;8.78,2.43,;.52,-2.35,;-.97,-2.74,;-.57,-4.23,;.92,-3.83,;-1.34,-5.57,;-2.11,-6.9,)| Show InChI InChI=1S/C29H27N5O3/c1-32-12-20(11-27(32)28(31)36)22-3-2-4-25(24(22)15-35)34-26(21-13-33(14-21)16-30)10-19-9-18(17-5-6-17)7-8-23(19)29(34)37/h2-4,7-12,17,21,35H,5-6,13-15H2,1H3,(H2,31,36)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435487 (US10570118, Example 41) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(cc(F)c2c1=O)C1CC1 |(-6.84,3.61,;-6.07,2.28,;-4.6,1.8,;-4.6,.26,;-6.07,-.21,;-6.97,1.03,;-8.51,1.03,;-9.28,2.37,;-9.28,-.3,;-3.27,-.51,;-3.27,-2.05,;-1.94,-2.82,;-.6,-2.05,;-.6,-.51,;-1.94,.26,;-1.94,1.8,;-3.27,2.57,;.73,.26,;2.06,-.51,;2.06,-2.05,;3.4,-2.82,;3.8,-4.3,;5.28,-3.91,;4.88,-2.42,;6.62,-4.68,;6.62,-6.22,;7.95,-3.91,;9.28,-4.68,;3.4,.26,;3.4,1.8,;4.73,2.57,;4.73,4.11,;3.4,4.88,;2.06,4.11,;.73,4.88,;2.06,2.57,;.73,1.8,;-.6,2.57,;6.06,4.88,;7.6,4.88,;6.83,6.22,)| Show InChI InChI=1S/C32H31FN4O4/c1-3-29(39)36-14-18(15-36)9-23-11-21-10-20(19-7-8-19)12-26(33)30(21)32(41)37(23)27-6-4-5-24(25(27)17-38)22-13-28(31(34)40)35(2)16-22/h3-6,10-13,16,18-19,38H,1,7-9,14-15,17H2,2H3,(H2,34,40)	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	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435463 (US10570118, Example 17) Show SMILES Nc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-2.8,5.02,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)| Show InChI InChI=1S/C30H28N4O3/c1-2-29(36)33-15-22(16-33)27-13-21-12-19(18-6-7-18)8-9-24(21)30(37)34(27)26-5-3-4-23(25(26)17-35)20-10-11-32-28(31)14-20/h2-5,8-14,18,22,35H,1,6-7,15-17H2,(H2,31,32)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435456 (US10570118, Example 11) Show SMILES Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-3.75,7.61,;-4.52,6.28,;-3.75,4.94,;-4.52,3.61,;-6.06,3.61,;-6.83,4.94,;-8.37,4.94,;-6.06,6.28,;-6.83,7.61,;-3.75,2.28,;-4.52,.94,;-3.75,-.39,;-2.21,-.39,;-1.44,.94,;-2.21,2.28,;-1.44,3.61,;-2.21,4.94,;.1,.94,;.87,-.39,;2.41,-.39,;3.18,.94,;4.72,.94,;5.49,2.28,;4.72,3.61,;3.18,3.61,;2.41,2.28,;.87,2.28,;.1,3.61,;7.03,2.28,;8.37,1.51,;8.37,3.05,;.1,-1.72,;-1.38,-2.12,;-.99,-3.61,;.5,-3.21,;-1.76,-4.94,;-3.3,-4.94,;-.99,-6.28,;-1.76,-7.61,)| Show InChI InChI=1S/C31H30N4O4/c1-3-29(37)34-15-22(16-34)28-13-20-11-19(18-7-8-18)9-10-24(20)30(38)35(28)27-6-4-5-23(25(27)17-36)21-12-26(32)31(39)33(2)14-21/h3-6,9-14,18,22,36H,1,7-8,15-17,32H2,2H3	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435448 (US10570118, Example 3) Show SMILES OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N)-c1ccc2[nH]ncc2c1 |(-2.23,4.29,;-1.46,2.96,;-2.23,1.62,;-3.77,1.62,;-4.54,.29,;-3.77,-1.05,;-2.23,-1.05,;-1.46,.29,;.08,.29,;.85,-1.05,;2.39,-1.05,;3.16,.29,;4.7,.29,;5.47,1.62,;4.7,2.96,;3.16,2.96,;2.39,1.62,;.85,1.62,;.08,2.96,;7.01,1.62,;8.35,.85,;8.35,2.39,;.08,-2.38,;-1.4,-2.78,;-1,-4.27,;.48,-3.87,;-1.77,-5.6,;-2.54,-6.93,;-4.54,2.96,;-5.87,2.19,;-7.2,2.96,;-7.2,4.5,;-8.35,5.53,;-7.72,6.93,;-6.19,6.77,;-5.87,5.27,;-4.54,4.5,)| Show InChI InChI=1S/C30H25N5O2/c31-17-34-14-23(15-34)29-12-21-10-19(18-4-5-18)6-8-25(21)30(37)35(29)28-3-1-2-24(26(28)16-36)20-7-9-27-22(11-20)13-32-33-27/h1-3,6-13,18,23,36H,4-5,14-16H2,(H,32,33)	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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435458 (US10570118, Example 13) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-4.87,7.55,;-4.87,6.01,;-3.62,5.11,;-4.1,3.65,;-5.64,3.65,;-6.12,5.11,;-7.45,5.88,;-7.45,7.42,;-8.78,5.11,;-3.33,2.31,;-4.1,.98,;-3.33,-.36,;-1.79,-.36,;-1.02,.98,;-1.79,2.31,;-1.02,3.65,;-1.79,4.98,;.52,.98,;1.29,-.36,;2.83,-.36,;3.6,.98,;5.14,.98,;5.91,2.31,;5.14,3.65,;3.6,3.65,;2.83,2.31,;1.29,2.31,;.52,3.65,;7.45,2.31,;8.78,1.54,;8.78,3.08,;.52,-1.69,;-.94,-2.17,;-.94,-3.71,;.52,-4.18,;1.43,-2.94,;.92,-5.67,;-.17,-6.76,;2.41,-6.07,;2.8,-7.55,)| Show InChI InChI=1S/C32H32N4O4/c1-3-30(38)35-12-11-21(17-35)28-14-22-13-20(19-7-8-19)9-10-25(22)32(40)36(28)27-6-4-5-24(26(27)18-37)23-15-29(31(33)39)34(2)16-23/h3-6,9-10,13-16,19,21,37H,1,7-8,11-12,17-18H2,2H3,(H2,33,39)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435454 (US10570118, Example 9) Show SMILES Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-3.75,6.94,;-4.52,5.61,;-3.75,4.28,;-4.52,2.94,;-6.06,2.94,;-6.83,4.28,;-8.37,4.28,;-6.06,5.61,;-6.83,6.94,;-3.75,1.61,;-4.52,.28,;-3.75,-1.06,;-2.21,-1.06,;-1.44,.28,;-2.21,1.61,;-1.44,2.94,;-2.21,4.28,;.1,.28,;.87,-1.06,;2.41,-1.06,;3.18,.28,;4.72,.28,;5.49,1.61,;4.72,2.94,;3.18,2.94,;2.41,1.61,;.87,1.61,;.1,2.94,;7.03,1.61,;8.37,.84,;8.37,2.38,;.1,-2.39,;-1.38,-2.79,;-.99,-4.28,;.5,-3.88,;-1.76,-5.61,;-2.53,-6.94,)| Show InChI InChI=1S/C29H27N5O3/c1-32-12-20(10-25(31)29(32)37)22-3-2-4-26(24(22)15-35)34-27(21-13-33(14-21)16-30)11-19-9-18(17-5-6-17)7-8-23(19)28(34)36/h2-4,7-12,17,21,35H,5-6,13-15,31H2,1H3	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435455 (US10570118, Example 10) Show SMILES Cc1ccc2c(c1)cc(C1CN(C1)C(=O)C=C)n(-c1cccc(-c3ccc4[nH]ncc4c3)c1CO)c2=O |(7.68,2.29,;6.14,2.29,;5.37,3.62,;3.83,3.62,;3.06,2.29,;3.83,.95,;5.37,.95,;3.06,-.38,;1.52,-.38,;.75,-1.71,;-.74,-2.11,;-.34,-3.6,;1.15,-3.2,;-1.11,-4.93,;-2.65,-4.93,;-.34,-6.27,;-1.11,-7.6,;.75,.95,;-.79,.95,;-1.56,-.38,;-3.1,-.38,;-3.87,.95,;-3.1,2.29,;-3.87,3.62,;-5.2,2.85,;-6.54,3.62,;-6.54,5.16,;-7.68,6.19,;-7.05,7.6,;-5.52,7.44,;-5.2,5.93,;-3.87,5.16,;-1.56,2.29,;-.79,3.62,;-1.56,4.96,;1.52,2.29,;.75,3.62,)| Show InChI InChI=1S/C30H26N4O3/c1-3-29(36)33-15-22(16-33)28-13-20-11-18(2)7-9-24(20)30(37)34(28)27-6-4-5-23(25(27)17-35)19-8-10-26-21(12-19)14-31-32-26/h3-14,22,35H,1,15-17H2,2H3,(H,31,32)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435457 (US10570118, Example 12) Show SMILES Nc1cc(ncn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-6.44,6.87,;-6.44,5.33,;-5.11,4.56,;-5.11,3.02,;-6.44,2.25,;-7.78,3.02,;-7.78,4.56,;-4.34,1.69,;-5.11,.35,;-4.34,-.98,;-2.8,-.98,;-2.03,.35,;-2.8,1.69,;-2.03,3.02,;-2.8,4.35,;-.49,.35,;.28,-.98,;1.82,-.98,;2.59,.35,;4.13,.35,;4.9,1.69,;4.13,3.02,;2.59,3.02,;1.82,1.69,;.28,1.69,;-.49,3.02,;6.44,1.69,;7.78,.92,;7.78,2.46,;-.49,-2.32,;-1.98,-2.71,;-1.58,-4.2,;-.09,-3.8,;-2.35,-5.54,;-3.12,-6.87,)| Show InChI InChI=1S/C27H24N6O2/c28-14-32-11-19(12-32)25-9-18-8-17(16-4-5-16)6-7-20(18)27(35)33(25)24-3-1-2-21(22(24)13-34)23-10-26(29)31-15-30-23/h1-3,6-10,15-16,19,34H,4-5,11-13H2,(H2,29,30,31)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435451 (US10570118, Example 6) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CCN2C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-4.87,7.85,;-4.87,6.31,;-3.62,5.41,;-4.1,3.94,;-5.64,3.94,;-6.12,5.41,;-7.45,6.18,;-8.78,5.41,;-7.45,7.72,;-3.33,2.61,;-4.1,1.28,;-3.33,-.06,;-1.79,-.06,;-1.02,1.28,;-1.79,2.61,;-1.02,3.94,;-1.79,5.28,;.52,1.28,;1.29,-.06,;1.29,-1.6,;2.62,-2.37,;4.11,-1.97,;4.51,-3.46,;3.02,-3.85,;2.25,-5.19,;.71,-5.19,;3.02,-6.52,;2.25,-7.85,;2.83,-.06,;3.6,1.28,;5.14,1.28,;5.91,2.61,;5.14,3.94,;3.6,3.94,;2.83,2.61,;1.29,2.61,;.52,3.94,;7.45,2.61,;8.78,1.84,;8.78,3.38,)| Show InChI InChI=1S/C32H32N4O4/c1-3-30(38)35-12-11-23(35)16-24-14-21-13-20(19-7-8-19)9-10-26(21)32(40)36(24)28-6-4-5-25(27(28)18-37)22-15-29(31(33)39)34(2)17-22/h3-6,9-10,13-15,17,19,23,37H,1,7-8,11-12,16,18H2,2H3,(H2,33,39)	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361851 (CHEMBL1938803 | US9150577, 55) Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C20H17N5O2/c26-18(24-20-22-14-4-1-2-5-15(14)23-20)13-7-6-12-10-17-19(27)21-8-3-9-25(17)16(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H,21,27)(H2,22,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435447 (US10570118, Example 2) Show SMILES Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-6.17,4,;-5.4,2.66,;-3.94,2.19,;-3.94,.65,;-5.4,.17,;-6.31,1.42,;-7.85,1.42,;-8.62,2.75,;-8.62,.08,;-2.6,-.12,;-2.6,-1.66,;-1.27,-2.43,;.06,-1.66,;.06,-.12,;-1.27,.65,;-1.27,2.19,;-2.6,2.96,;1.4,.65,;2.73,-.12,;2.73,-1.66,;4.06,-2.43,;4.46,-3.92,;5.95,-3.52,;5.55,-2.03,;7.28,-4.29,;8.62,-3.52,;7.28,-5.83,;8.62,-6.6,;4.06,.65,;4.06,2.19,;5.4,2.96,;5.4,4.5,;4.06,5.27,;2.73,4.5,;2.73,2.96,;1.4,2.19,;.06,2.96,;6.73,5.27,;8.27,5.27,;7.5,6.6,)| Show InChI InChI=1S/C32H32N4O4/c1-3-30(38)35-15-19(16-35)11-24-13-22-12-21(20-7-8-20)9-10-26(22)32(40)36(24)28-6-4-5-25(27(28)18-37)23-14-29(31(33)39)34(2)17-23/h3-6,9-10,12-14,17,19-20,37H,1,7-8,11,15-16,18H2,2H3,(H2,33,39)	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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435460 (US10570118, Example 15) Show SMILES CNc1cc(ccn1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-8.75,4.28,;-7.98,5.61,;-6.44,5.61,;-5.67,4.28,;-4.13,4.28,;-3.36,5.61,;-4.13,6.94,;-5.67,6.94,;-3.36,2.94,;-4.13,1.61,;-3.36,.28,;-1.82,.28,;-1.05,1.61,;-1.82,2.94,;-1.05,4.28,;-1.82,5.61,;.49,1.61,;1.26,.28,;2.8,.28,;3.57,1.61,;5.11,1.61,;5.88,2.94,;5.11,4.28,;3.57,4.28,;2.8,2.94,;1.26,2.94,;.49,4.28,;7.42,2.94,;8.75,2.17,;8.75,3.71,;.49,-1.06,;-1,-1.46,;-.6,-2.94,;.89,-2.55,;-1.37,-4.28,;-2.91,-4.28,;-.6,-5.61,;-1.37,-6.94,)| Show InChI InChI=1S/C31H30N4O3/c1-3-30(37)34-16-23(17-34)28-14-22-13-20(19-7-8-19)9-10-25(22)31(38)35(28)27-6-4-5-24(26(27)18-36)21-11-12-33-29(15-21)32-2/h3-6,9-15,19,23,36H,1,7-8,16-18H2,2H3,(H,32,33)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435449 (US10570118, Example 4) Show SMILES NC(=O)c1cccc(c1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C#N |(-5.11,7.25,;-6.44,6.48,;-7.78,7.25,;-6.44,4.94,;-7.78,4.17,;-7.78,2.63,;-6.44,1.86,;-5.11,2.63,;-5.11,4.17,;-4.34,1.3,;-5.11,-.03,;-4.34,-1.37,;-2.8,-1.37,;-2.03,-.03,;-2.8,1.3,;-2.03,2.63,;-2.8,3.97,;-.49,-.03,;.28,-1.37,;1.82,-1.37,;2.59,-.03,;4.13,-.03,;4.9,1.3,;4.13,2.63,;2.59,2.63,;1.82,1.3,;.28,1.3,;-.49,2.63,;6.44,1.3,;7.78,.53,;7.78,2.07,;-.49,-2.7,;-1.98,-3.1,;-1.58,-4.59,;-.09,-4.19,;-2.35,-5.92,;-3.12,-7.25,)| Show InChI InChI=1S/C30H26N4O3/c31-17-33-14-23(15-33)28-13-22-11-19(18-7-8-18)9-10-25(22)30(37)34(28)27-6-2-5-24(26(27)16-35)20-3-1-4-21(12-20)29(32)36/h1-6,9-13,18,23,35H,7-8,14-16H2,(H2,32,36)	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	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435450 (US10570118, Example 5) Show SMILES NC(=O)c1cccc(c1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-5.11,7.92,;-6.44,7.15,;-7.78,7.92,;-6.44,5.61,;-7.78,4.84,;-7.78,3.3,;-6.44,2.53,;-5.11,3.3,;-5.11,4.84,;-4.34,1.97,;-5.11,.63,;-4.34,-.7,;-2.8,-.7,;-2.03,.63,;-2.8,1.97,;-2.03,3.3,;-2.8,4.63,;-.49,.63,;.28,-.7,;1.82,-.7,;2.59,.63,;4.13,.63,;4.9,1.97,;4.13,3.3,;2.59,3.3,;1.82,1.97,;.28,1.97,;-.49,3.3,;6.44,1.97,;7.78,1.2,;7.78,2.74,;-.49,-2.03,;-1.98,-2.43,;-1.58,-3.92,;-.09,-3.52,;-2.35,-5.25,;-3.89,-5.25,;-1.58,-6.59,;-2.35,-7.92,)| Show InChI InChI=1S/C32H29N3O4/c1-2-30(37)34-16-24(17-34)29-15-23-13-20(19-9-10-19)11-12-26(23)32(39)35(29)28-8-4-7-25(27(28)18-36)21-5-3-6-22(14-21)31(33)38/h2-8,11-15,19,24,36H,1,9-10,16-18H2,(H2,33,38)	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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435466 (US10570118, Example 20) Show SMILES Nc1cc(ccn1)-c1cccc(c1Cl)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-6.44,7.54,;-6.44,6,;-5.11,5.23,;-5.11,3.69,;-6.44,2.92,;-7.78,3.69,;-7.78,5.23,;-4.34,2.35,;-5.11,1.02,;-4.34,-.32,;-2.8,-.32,;-2.03,1.02,;-2.8,2.35,;-2.03,3.69,;-.49,1.02,;.28,-.32,;1.82,-.32,;2.59,1.02,;4.13,1.02,;4.9,2.35,;4.13,3.69,;2.59,3.69,;1.82,2.35,;.28,2.35,;-.49,3.69,;6.44,2.35,;7.78,1.58,;7.78,3.12,;-.49,-1.65,;-1.98,-2.05,;-1.58,-3.53,;-.09,-3.14,;-2.35,-4.87,;-3.89,-4.87,;-1.58,-6.2,;-2.35,-7.54,)| Show InChI InChI=1S/C29H25ClN4O2/c1-2-27(35)33-15-21(16-33)25-13-20-12-18(17-6-7-17)8-9-23(20)29(36)34(25)24-5-3-4-22(28(24)30)19-10-11-32-26(31)14-19/h2-5,8-14,17,21H,1,6-7,15-16H2,(H2,31,32)	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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50360292 (CHEMBL1933279 | US9150577, 64) Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12 Show InChI InChI=1S/C21H19N5O2/c1-25-16-6-3-2-5-15(16)23-21(25)24-19(27)14-8-7-13-11-18-20(28)22-9-4-10-26(18)17(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,28)(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50360288 (CHEMBL1933148 | US9150577, 23) Show SMILES Cn1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cn1 Show InChI InChI=1S/C17H17N5O2/c1-21-10-13(9-19-21)20-16(23)12-4-3-11-7-15-17(24)18-5-2-6-22(15)14(11)8-12/h3-4,7-10H,2,5-6H2,1H3,(H,18,24)(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435453 (US10570118, Example 8) Show SMILES CC#CC(=O)N1CC(Cc2cc3cc(ccc3c(=O)n2-c2cccc(-c3cc(C(N)=O)n(C)c3)c2CO)C2CC2)C1 |(7.28,-7.76,;7.28,-6.22,;7.28,-4.68,;7.28,-3.14,;8.62,-2.37,;5.95,-2.37,;4.46,-2.76,;4.06,-1.28,;2.73,-.51,;2.73,1.03,;4.06,1.8,;4.06,3.34,;5.4,4.11,;5.4,5.65,;4.06,6.42,;2.73,5.65,;2.73,4.11,;1.4,3.34,;.06,4.11,;1.4,1.8,;.06,1.03,;.06,-.51,;-1.27,-1.28,;-2.6,-.51,;-2.6,1.03,;-3.94,1.8,;-5.4,1.33,;-6.31,2.57,;-7.85,2.57,;-8.62,3.91,;-8.62,1.24,;-5.4,3.82,;-6.17,5.15,;-3.94,3.34,;-1.27,1.8,;-1.27,3.34,;-2.6,4.11,;6.73,6.42,;8.27,6.42,;7.5,7.76,;5.55,-.88,)| Show InChI InChI=1S/C33H32N4O4/c1-3-5-31(39)36-16-20(17-36)12-25-14-23-13-22(21-8-9-21)10-11-27(23)33(41)37(25)29-7-4-6-26(28(29)19-38)24-15-30(32(34)40)35(2)18-24/h4,6-7,10-11,13-15,18,20-21,38H,8-9,12,16-17,19H2,1-2H3,(H2,34,40)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50360282 (CHEMBL1933143 | US9150577, 193) Show SMILES Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1 Show InChI InChI=1S/C17H16N4O3/c1-10-7-15(24-20-10)19-16(22)12-4-3-11-8-14-17(23)18-5-2-6-21(14)13(11)9-12/h3-4,7-9H,2,5-6H2,1H3,(H,18,23)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435459 (US10570118, Example 14) Show SMILES Nc1cc(ncn1)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-8.37,5.57,;-6.83,5.57,;-6.06,4.23,;-4.52,4.23,;-3.75,5.57,;-4.52,6.9,;-6.06,6.9,;-3.75,2.9,;-4.52,1.56,;-3.75,.23,;-2.21,.23,;-1.44,1.56,;-2.21,2.9,;-1.44,4.23,;-2.21,5.57,;.1,1.56,;.87,.23,;.1,-1.1,;.87,-2.44,;.47,-3.92,;1.96,-4.32,;2.36,-2.84,;2.36,-5.81,;3.85,-6.21,;1.27,-6.9,;-.22,-6.5,;2.41,.23,;3.18,1.56,;4.72,1.56,;5.49,2.9,;4.72,4.23,;3.18,4.23,;2.41,2.9,;.87,2.9,;.1,4.23,;7.03,2.9,;8.37,2.13,;8.37,3.67,)| Show InChI InChI=1S/C30H29N5O3/c1-2-29(37)34-14-18(15-34)10-22-12-21-11-20(19-6-7-19)8-9-23(21)30(38)35(22)27-5-3-4-24(25(27)16-36)26-13-28(31)33-17-32-26/h2-5,8-9,11-13,17-19,36H,1,6-7,10,14-16H2,(H2,31,32,33)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435461 (US10570118, Example 16) Show SMILES Cn1cc(cc(N)c1=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-4.52,7.88,;-4.52,6.34,;-3.75,5.01,;-4.52,3.67,;-6.06,3.67,;-6.83,5.01,;-8.37,5.01,;-6.06,6.34,;-6.83,7.67,;-3.75,2.34,;-4.52,1.01,;-3.75,-.33,;-2.21,-.33,;-1.44,1.01,;-2.21,2.34,;-1.44,3.67,;-2.21,5.01,;.1,1.01,;.87,-.33,;2.41,-.33,;3.18,1.01,;4.72,1.01,;5.49,2.34,;4.72,3.67,;3.18,3.67,;2.41,2.34,;.87,2.34,;.1,3.67,;7.03,2.34,;8.37,1.57,;8.37,3.11,;.1,-1.66,;-1.44,-1.66,;-1.91,-3.13,;-.67,-4.03,;.58,-3.13,;-.67,-5.57,;-2,-6.34,;.67,-6.34,;.67,-7.88,)| Show InChI InChI=1S/C32H32N4O4/c1-3-30(38)35-12-11-21(17-35)29-15-22-13-20(19-7-8-19)9-10-25(22)31(39)36(29)28-6-4-5-24(26(28)18-37)23-14-27(33)32(40)34(2)16-23/h3-6,9-10,13-16,19,21,37H,1,7-8,11-12,17-18,33H2,2H3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361841 (CHEMBL1938786 | US9150577, 215) Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C20H18N4O3/c21-18(25)14-4-1-2-5-15(14)23-19(26)13-7-6-12-10-17-20(27)22-8-3-9-24(17)16(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H2,21,25)(H,22,27)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361845 (CHEMBL1938792 | US9150577, 108) Show SMILES O=C(Nc1ncc[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C16H15N5O2/c22-14(20-16-18-5-6-19-16)11-3-2-10-8-13-15(23)17-4-1-7-21(13)12(10)9-11/h2-3,5-6,8-9H,1,4,7H2,(H,17,23)(H2,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361847 (CHEMBL1938798 | US9150577, 190) Show SMILES O=C(Nc1cnc2ccccc2c1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C22H18N4O2/c27-21(25-17-10-14-4-1-2-5-18(14)24-13-17)16-7-6-15-11-20-22(28)23-8-3-9-26(20)19(15)12-16/h1-2,4-7,10-13H,3,8-9H2,(H,23,28)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361842 (CHEMBL1938787 | US9150577, 156) Show SMILES O=C(Nc1ccncc1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C18H16N4O2/c23-17(21-14-4-7-19-8-5-14)13-3-2-12-10-16-18(24)20-6-1-9-22(16)15(12)11-13/h2-5,7-8,10-11H,1,6,9H2,(H,20,24)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435468 (US10570118, Example 22) Show SMILES OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C)-c1ccncc1 |(-2.98,5.6,;-2.21,4.27,;-2.98,2.93,;-4.52,2.93,;-5.29,1.6,;-4.52,.27,;-2.98,.27,;-2.21,1.6,;-.67,1.6,;.1,.27,;1.64,.27,;2.41,1.6,;3.95,1.6,;4.72,2.93,;3.95,4.27,;2.41,4.27,;1.64,2.93,;.1,2.93,;-.67,4.27,;6.26,2.93,;7.6,2.16,;7.6,3.7,;-.67,-1.07,;-2.13,-1.54,;-2.13,-3.08,;-.67,-3.56,;.24,-2.31,;-.27,-5.05,;-1.36,-6.14,;1.22,-5.45,;1.62,-6.93,;-5.29,4.27,;-4.52,5.6,;-5.29,6.93,;-6.83,6.93,;-7.6,5.6,;-6.83,4.27,)| Show InChI InChI=1S/C31H29N3O3/c1-2-30(36)33-15-12-23(18-33)29-17-24-16-22(20-6-7-20)8-9-26(24)31(37)34(29)28-5-3-4-25(27(28)19-35)21-10-13-32-14-11-21/h2-5,8-11,13-14,16-17,20,23,35H,1,6-7,12,15,18-19H2	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361835 (CHEMBL1938765 | US9150577, 10) Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H18N4O2/c1-12-6-8-21-19(25)17-9-13-4-5-14(10-16(13)23(12)17)18(24)22-15-3-2-7-20-11-15/h2-5,7,9-12H,6,8H2,1H3,(H,21,25)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361846 (CHEMBL1938794 | US9150577, 15) Show SMILES O=C(Nc1cn[nH]c1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C16H15N5O2/c22-15(20-12-8-18-19-9-12)11-3-2-10-6-14-16(23)17-4-1-5-21(14)13(10)7-11/h2-3,6-9H,1,4-5H2,(H,17,23)(H,18,19)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361839 (CHEMBL1938776) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C19H18N4O2/c1-11-12(2)23-16-9-14(18(24)22-15-4-3-7-20-10-15)6-5-13(16)8-17(23)19(25)21-11/h3-12H,1-2H3,(H,21,25)(H,22,24)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361867 (CHEMBL1938791 | US9150577, 226) Show SMILES O=C(Nc1cccc(c1)-c1c[nH]cn1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C22H19N5O2/c28-21(26-17-4-1-3-14(9-17)18-12-23-13-25-18)16-6-5-15-10-20-22(29)24-7-2-8-27(20)19(15)11-16/h1,3-6,9-13H,2,7-8H2,(H,23,25)(H,24,29)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361848 (CHEMBL1938799 | US9150577, 19) Show SMILES CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCCCn5c4c3)cnc12 Show InChI InChI=1S/C22H22N6O2/c1-13(2)28-20-16(11-25-28)8-17(12-24-20)26-21(29)15-5-4-14-9-19-22(30)23-6-3-7-27(19)18(14)10-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,23,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435464 (US10570118, Example 18) Show SMILES CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1)C(=O)C=C |(5.57,-1.82,;4.24,-2.59,;2.9,-1.82,;2.9,-.28,;4.24,.49,;4.24,2.03,;5.57,2.8,;5.57,4.34,;4.24,5.11,;2.9,4.34,;2.9,2.8,;1.57,2.03,;.24,2.8,;1.57,.49,;.24,-.28,;.24,-1.82,;-1.1,-2.59,;-2.43,-1.82,;-2.43,-.28,;-3.76,.49,;-5.23,.01,;-6.13,1.26,;-7.67,1.26,;-8.44,2.59,;-8.44,-.08,;-5.23,2.5,;-6,3.84,;-3.76,2.03,;-1.1,.49,;-1.1,2.03,;-2.43,2.8,;6.9,5.11,;8.44,5.11,;7.67,6.44,;4.24,-4.13,;5.57,-4.9,;2.9,-4.9,;2.9,-6.44,)| Show InChI InChI=1S/C30H30N4O4/c1-4-28(36)33(3)16-22-13-20-12-19(18-8-9-18)10-11-24(20)30(38)34(22)26-7-5-6-23(25(26)17-35)21-14-27(29(31)37)32(2)15-21/h4-7,10-15,18,35H,1,8-9,16-17H2,2-3H3,(H2,31,37)	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435465 (US10570118, Example 19) Show SMILES CC#CC(=O)N1CC(C1)c1cc2cc(ccc2c(=O)n1-c1cccc(-c2cc(C(N)=O)n(C)c2)c1CO)C1CC1 |(.97,-8.23,;.2,-6.9,;-.57,-5.57,;-1.34,-4.23,;-2.88,-4.23,;-.57,-2.9,;-.97,-1.41,;.52,-1.01,;.92,-2.5,;1.29,.32,;2.83,.32,;3.6,1.66,;5.14,1.66,;5.91,2.99,;5.14,4.32,;3.6,4.32,;2.83,2.99,;1.29,2.99,;.52,4.32,;.52,1.66,;-1.02,1.66,;-1.79,.32,;-3.33,.32,;-4.1,1.66,;-3.33,2.99,;-4.1,4.32,;-5.64,4.32,;-6.12,5.79,;-7.45,6.56,;-7.45,8.1,;-8.78,5.79,;-4.87,6.69,;-4.87,8.23,;-3.62,5.79,;-1.79,2.99,;-1.02,4.32,;-1.79,5.66,;7.45,2.99,;8.78,2.22,;8.78,3.76,)| Show InChI InChI=1S/C32H30N4O4/c1-3-5-30(38)35-16-23(17-35)28-13-21-12-20(19-8-9-19)10-11-25(21)32(40)36(28)27-7-4-6-24(26(27)18-37)22-14-29(31(33)39)34(2)15-22/h4,6-7,10-15,19,23,37H,8-9,16-18H2,1-2H3,(H2,33,39)	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	64	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361849 (CHEMBL1938800 | US9150577, 5) Show SMILES O=C(Nc1ccc2ccccc2n1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C22H18N4O2/c27-21(25-20-9-8-14-4-1-2-5-17(14)24-20)16-7-6-15-12-19-22(28)23-10-3-11-26(19)18(15)13-16/h1-2,4-9,12-13H,3,10-11H2,(H,23,28)(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361870 (CHEMBL1938796) Show SMILES O=C(Nc1ccn[nH]1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C16H15N5O2/c22-15(19-14-4-6-18-20-14)11-3-2-10-8-13-16(23)17-5-1-7-21(13)12(10)9-11/h2-4,6,8-9H,1,5,7H2,(H,17,23)(H2,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435484 (US10570118, Example 38 | US10570118, Example 39) Show SMILES COc1cc(cc2cc(CC3CN(C3)C(=O)C=C)n(-c3cccc(-c4cc(C(N)=O)n(C)c4)c3CO)c(=O)c12)C1CC1 |(.73,6.32,;.73,4.78,;2.06,4.01,;3.4,4.78,;4.73,4.01,;4.73,2.47,;3.4,1.7,;3.4,.16,;2.06,-.61,;2.06,-2.15,;3.4,-2.92,;3.8,-4.41,;5.28,-4.01,;4.88,-2.52,;6.62,-4.78,;6.62,-6.32,;7.95,-4.01,;9.28,-4.78,;.73,.16,;-.6,-.61,;-.6,-2.15,;-1.94,-2.92,;-3.27,-2.15,;-3.27,-.61,;-4.6,.16,;-6.07,-.32,;-6.97,.93,;-8.51,.93,;-9.28,2.26,;-9.28,-.4,;-6.07,2.18,;-6.84,3.51,;-4.6,1.7,;-1.94,.16,;-1.94,1.7,;-3.27,2.47,;.73,1.7,;-.6,2.47,;2.06,2.47,;6.06,4.78,;7.6,4.78,;6.83,6.11,)| Show InChI InChI=1S/C33H34N4O5/c1-4-30(39)36-15-19(16-36)10-24-12-22-11-21(20-8-9-20)14-29(42-3)31(22)33(41)37(24)27-7-5-6-25(26(27)18-38)23-13-28(32(34)40)35(2)17-23/h4-7,11-14,17,19-20,38H,1,8-10,15-16,18H2,2-3H3,(H2,34,40)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435469 (US10570118, Example 23) Show SMILES CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(-c2ccnc(N)c2)c1CO)C1CC1)C(=O)C=C |(5.23,-1.82,;3.9,-2.59,;2.56,-1.82,;2.56,-.28,;3.9,.49,;3.9,2.03,;5.23,2.8,;5.23,4.34,;3.9,5.11,;2.56,4.34,;2.56,2.8,;1.23,2.03,;-.1,2.8,;1.23,.49,;-.1,-.28,;-.1,-1.82,;-1.44,-2.59,;-2.77,-1.82,;-2.77,-.28,;-4.1,.49,;-4.1,2.03,;-5.44,2.8,;-6.77,2.03,;-6.77,.49,;-8.11,-.28,;-5.44,-.28,;-1.44,.49,;-1.44,2.03,;-2.77,2.8,;6.57,5.11,;8.11,5.11,;7.34,6.44,;3.9,-4.13,;5.23,-4.9,;2.56,-4.9,;2.56,-6.44,)| Show InChI InChI=1S/C29H28N4O3/c1-3-28(35)32(2)16-22-14-21-13-19(18-7-8-18)9-10-24(21)29(36)33(22)26-6-4-5-23(25(26)17-34)20-11-12-31-27(30)15-20/h3-6,9-15,18,34H,1,7-8,16-17H2,2H3,(H2,30,31)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435470 (US10570118, Example 24) Show SMILES CN(Cc1cc2cc(ccc2c(=O)n1-c1cccc(c1CO)-c1cc(N)c(=O)n(C)c1)C1CC1)C(=O)C=C |(5.23,-1.82,;3.9,-2.59,;2.56,-1.82,;2.56,-.28,;3.9,.49,;3.9,2.03,;5.23,2.8,;5.23,4.34,;3.9,5.11,;2.56,4.34,;2.56,2.8,;1.23,2.03,;-.1,2.8,;1.23,.49,;-.1,-.28,;-.1,-1.82,;-1.44,-2.59,;-2.77,-1.82,;-2.77,-.28,;-1.44,.49,;-1.44,2.03,;-2.77,2.8,;-4.1,.49,;-5.44,-.28,;-6.77,.49,;-8.11,-.28,;-6.77,2.03,;-8.11,2.8,;-5.44,2.8,;-5.44,4.34,;-4.1,2.03,;6.57,5.11,;8.11,5.11,;7.34,6.44,;3.9,-4.13,;5.23,-4.9,;2.56,-4.9,;2.56,-6.44,)| Show InChI InChI=1S/C30H30N4O4/c1-4-28(36)32(2)16-22-13-20-12-19(18-8-9-18)10-11-24(20)29(37)34(22)27-7-5-6-23(25(27)17-35)21-14-26(31)30(38)33(3)15-21/h4-7,10-15,18,35H,1,8-9,16-17,31H2,2-3H3	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM435471 (US10570118, Example 25) Show SMILES OCc1c(cccc1-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C)-c1ccn2cncc2c1 |(-2.87,3.01,;-1.53,2.24,;-1.53,.7,;-2.87,-.07,;-2.87,-1.61,;-1.53,-2.38,;-.2,-1.61,;-.2,-.07,;1.14,.7,;2.47,-.07,;3.8,.7,;3.8,2.24,;5.14,3.01,;5.14,4.55,;3.8,5.32,;2.47,4.55,;2.47,3.01,;1.14,2.24,;-.2,3.01,;6.47,5.32,;8.01,5.32,;7.24,6.65,;2.47,-1.61,;1.22,-2.52,;1.7,-3.98,;3.24,-3.98,;3.72,-2.52,;4.01,-5.32,;3.24,-6.65,;5.55,-5.32,;6.32,-6.65,;-4.2,.7,;-5.53,-.07,;-6.87,.7,;-6.87,2.24,;-8.01,3.27,;-7.38,4.67,;-5.85,4.51,;-5.53,3.01,;-4.2,2.24,)| Show InChI InChI=1S/C33H30N4O3/c1-2-32(39)35-12-11-24(18-35)31-16-25-14-22(21-6-7-21)8-9-28(25)33(40)37(31)30-5-3-4-27(29(30)19-38)23-10-13-36-20-34-17-26(36)15-23/h2-5,8-10,13-17,20-21,24,38H,1,6-7,11-12,18-19H2	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description A Lanthscreen Eu Kinase Binding assay (Life Technologies) was performed to quantitate the ability of test compounds to bind to BTK. The assay is base...				US Patent US10570118 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5J1T
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361837 (CHEMBL1938774) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C18H16N4O2/c1-11-9-20-18(24)16-7-12-4-5-13(8-15(12)22(11)16)17(23)21-14-3-2-6-19-10-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361873 (CHEMBL1938782 | US9150577, 4) Show SMILES Clc1ccc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)cc1 Show InChI InChI=1S/C19H16ClN3O2/c20-14-4-6-15(7-5-14)22-18(24)13-3-2-12-10-17-19(25)21-8-1-9-23(17)16(12)11-13/h2-7,10-11H,1,8-9H2,(H,21,25)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50360282 (CHEMBL1933143 | US9150577, 193) Show SMILES Cc1cc(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)on1 Show InChI InChI=1S/C17H16N4O3/c1-10-7-15(24-20-10)19-16(22)12-4-3-11-8-14-17(23)18-5-2-6-21(14)13(11)9-12/h3-4,7-9H,2,5-6H2,1H3,(H,18,23)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50360292 (CHEMBL1933279 | US9150577, 64) Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12 Show InChI InChI=1S/C21H19N5O2/c1-25-16-6-3-2-5-15(16)23-21(25)24-19(27)14-8-7-13-11-18-20(28)22-9-4-10-26(18)17(13)12-14/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,28)(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2-mediated CREB phosphorylation in HeLa cells expressing luciferase reporter gene				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361838 (CHEMBL1938775) Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cccnc1 Show InChI InChI=1S/C19H18N4O2/c1-19(2)11-21-18(25)16-8-12-5-6-13(9-15(12)23(16)19)17(24)22-14-4-3-7-20-10-14/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM50361843 (CHEMBL1938788 | US9150577, 154) Show SMILES O=C(Nc1ccccn1)c1ccc2cc3C(=O)NCCCn3c2c1 Show InChI InChI=1S/C18H16N4O2/c23-17(21-16-4-1-2-7-19-16)13-6-5-12-10-15-18(24)20-8-3-9-22(15)14(12)11-13/h1-2,4-7,10-11H,3,8-9H2,(H,20,24)(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer-Ingelheim Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of RSK2 phosphorylation by luminescence assay				Bioorg Med Chem Lett 22: 733-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.030 BindingDB Entry DOI: 10.7270/Q2XW4K7N
					More data for this Ligand-Target Pair

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