Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM164822'   

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))	BDBM164822 (US10604504, Example 12 | US11623921, Example 12 | ...) Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)| Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)	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	510	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))	BDBM164822 (US10604504, Example 12 | US11623921, Example 12 | ...) Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)| Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)	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	510	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))	BDBM164822 (US10604504, Example 12 | US11623921, Example 12 | ...) Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)| Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	510	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))	BDBM164822 (US10604504, Example 12 | US11623921, Example 12 | ...) Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)| Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)	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	510	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))	BDBM164822 (US10604504, Example 12 | US11623921, Example 12 | ...) Show SMILES CC(C)=CC(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]cc(C)c12 |(5.85,-5,;4.52,-4.23,;4.52,-2.69,;3.19,-5,;1.85,-4.23,;1.85,-2.69,;.52,-5,;-.82,-4.23,;-2.15,-5,;-3.48,-4.23,;-3.48,-2.69,;-2.15,-1.93,;-.82,-2.69,;.52,-1.93,;-2.15,-.38,;-.82,.38,;-.82,1.93,;-2.15,2.69,;-2.15,4.23,;-.82,5,;-3.48,5,;-3.48,1.93,;-4.95,2.4,;-5.85,1.15,;-4.95,-.09,;-5.4,-1.42,;-3.48,.38,)| Show InChI InChI=1S/C22H23N3O2/c1-12(2)10-19(26)25-18-7-5-6-15(14(18)4)16-8-9-17(22(23)27)21-20(16)13(3)11-24-21/h5-11,24H,1-4H3,(H2,23,27)(H,25,26)	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	510	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