Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM165230'   

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))	BDBM165230 (US10604504, Example 40 | US11623921, Example 40 | ...) Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)	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	0.25	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))	BDBM165230 (US10604504, Example 40 | US11623921, Example 40 | ...) Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)	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	0.25	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))	BDBM165230 (US10604504, Example 40 | US11623921, Example 40 | ...) Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.25	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))	BDBM165230 (US10604504, Example 40 | US11623921, Example 40 | ...) Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)	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	0.25	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))	BDBM165230 (US10604504, Example 40 | US11623921, Example 40 | ...) Show SMILES Cc1[nH]c2c(ccc(-c3cccc(CNS(=O)(=O)C=C)c3)c2c1C)C(N)=O Show InChI InChI=1S/C20H21N3O3S/c1-4-27(25,26)22-11-14-6-5-7-15(10-14)16-8-9-17(20(21)24)19-18(16)12(2)13(3)23-19/h4-10,22-23H,1,11H2,2-3H3,(H2,21,24)	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	0.25	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