Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM164793'   

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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.40	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(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	3.40	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(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	3.40	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(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	3.40	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))	BDBM164793 (US10604504, Example 232 | US11623921, Example 232 ...) Show SMILES Cc1[nH]c2c(cc(F)c(-c3cccc4CN(CC(F)(F)c34)C(=O)C=C)c2c1C)C(N)=O |(-6.62,1.92,;-5.08,1.92,;-4.18,3.17,;-2.71,2.69,;-1.38,3.46,;-.05,2.69,;-.05,1.15,;1.29,.38,;-1.38,.38,;-1.38,-1.16,;-2.71,-1.93,;-2.71,-3.47,;-1.38,-4.24,;-.05,-3.47,;1.29,-4.24,;2.62,-3.47,;2.62,-1.93,;1.29,-1.16,;.52,.18,;2.06,.18,;-.05,-1.93,;3.96,-4.24,;3.96,-5.77,;5.29,-3.47,;6.62,-4.24,;-2.71,1.15,;-4.18,.68,;-4.95,-.65,;-1.38,5,;-.05,5.77,;-2.71,5.77,)| Show InChI InChI=1S/C23H20F3N3O2/c1-4-17(30)29-9-13-6-5-7-14(20(13)23(25,26)10-29)19-16(24)8-15(22(27)31)21-18(19)11(2)12(3)28-21/h4-8,28H,1,9-10H2,2-3H3,(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	3.40	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