Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM165583'   

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))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.230	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2X06C0T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				J Med Chem 50: 4928-38 (2007) BindingDB Entry DOI: 10.7270/Q2474D50
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US10604504 (2020) BindingDB Entry DOI: 10.7270/Q2H70JT2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	2.70	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9688629 (2017) BindingDB Entry DOI: 10.7270/Q20863G5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM165583 (US10604504, Example 196 | US11623921, Example 196 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)| Show InChI InChI=1S/C22H20FN3O2S/c1-4-17(27)26-8-9-29-21-13(6-5-7-16(21)26)19-15(23)10-14(22(24)28)20-18(19)11(2)12(3)25-20/h4-7,10,25H,1,8-9H2,2-3H3,(H2,24,28)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...				US Patent US9802915 (2017) BindingDB Entry DOI: 10.7270/Q2JW8H17
					More data for this Ligand-Target Pair