Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM165265'   

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))	BDBM165265 (US10604504, Example 61 | US11623921, Example 61 | ...) Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1 Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)	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	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))	BDBM165265 (US10604504, Example 61 | US11623921, Example 61 | ...) Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1 Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)	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	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))	BDBM165265 (US10604504, Example 61 | US11623921, Example 61 | ...) Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1 Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	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))	BDBM165265 (US10604504, Example 61 | US11623921, Example 61 | ...) Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1 Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)	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	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))	BDBM165265 (US10604504, Example 61 | US11623921, Example 61 | ...) Show SMILES COc1ccc(COc2cc(-c3cccc(c3C)-n3cnc4ccccc4c3=O)c3c(C)c(C)[nH]c3c2C(N)=O)cc1 Show InChI InChI=1S/C34H30N4O4/c1-19-21(3)37-32-30(19)26(16-29(31(32)33(35)39)42-17-22-12-14-23(41-4)15-13-22)24-9-7-11-28(20(24)2)38-18-36-27-10-6-5-8-25(27)34(38)40/h5-16,18,37H,17H2,1-4H3,(H2,35,39)	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	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