Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM168136'   

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))	BDBM168136 (US11623921, Example 261 | US9688629, 261 | US98029...) Show SMILES CC#CC(=O)N1CCC(CC1)=Cc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)| Show InChI InChI=1S/C21H22FN3O2/c1-4-5-18(26)25-8-6-14(7-9-25)10-15-17(22)11-16(21(23)27)20-19(15)12(2)13(3)24-20/h10-11,24H,6-9H2,1-3H3,(H2,23,27)	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	46.9	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))	BDBM168136 (US11623921, Example 261 | US9688629, 261 | US98029...) Show SMILES CC#CC(=O)N1CCC(CC1)=Cc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)| Show InChI InChI=1S/C21H22FN3O2/c1-4-5-18(26)25-8-6-14(7-9-25)10-15-17(22)11-16(21(23)27)20-19(15)12(2)13(3)24-20/h10-11,24H,6-9H2,1-3H3,(H2,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	46.9	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))	BDBM168136 (US11623921, Example 261 | US9688629, 261 | US98029...) Show SMILES CC#CC(=O)N1CCC(CC1)=Cc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)| Show InChI InChI=1S/C21H22FN3O2/c1-4-5-18(26)25-8-6-14(7-9-25)10-15-17(22)11-16(21(23)27)20-19(15)12(2)13(3)24-20/h10-11,24H,6-9H2,1-3H3,(H2,23,27)	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	46.9	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))	BDBM168136 (US11623921, Example 261 | US9688629, 261 | US98029...) Show SMILES CC#CC(=O)N1CCC(CC1)=Cc1c(F)cc(C(N)=O)c2[nH]c(C)c(C)c12 |(7.29,-1.93,;5.96,-2.69,;4.62,-3.47,;3.29,-4.23,;3.29,-5.78,;1.95,-3.47,;.62,-4.23,;-.71,-3.47,;-.71,-1.93,;.62,-1.15,;1.95,-1.93,;-2.05,-1.15,;-2.05,.38,;-.71,1.15,;.62,.38,;-.71,2.69,;-2.05,3.47,;-2.05,5,;-.71,5.78,;-3.38,5.78,;-3.38,2.69,;-4.84,3.17,;-5.75,1.93,;-7.29,1.93,;-4.84,.68,;-5.3,-.65,;-3.38,1.15,)| Show InChI InChI=1S/C21H22FN3O2/c1-4-5-18(26)25-8-6-14(7-9-25)10-15-17(22)11-16(21(23)27)20-19(15)12(2)13(3)24-20/h10-11,24H,6-9H2,1-3H3,(H2,23,27)	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	47	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