Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM377336'   

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))	BDBM377336 (4-(3-Acrylamido-2-methylphenyl)-7-(2-hydroxypropan...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					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 49: 4116-26 (2006) BindingDB Entry DOI: 10.7270/Q26112M3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377336 (4-(3-Acrylamido-2-methylphenyl)-7-(2-hydroxypropan...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)	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	0.460	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 US10676434 (2020) BindingDB Entry DOI: 10.7270/Q2CN76Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377336 (4-(3-Acrylamido-2-methylphenyl)-7-(2-hydroxypropan...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ...				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377336 (4-(3-Acrylamido-2-methylphenyl)-7-(2-hydroxypropan...) Show SMILES Cc1c(NC(=O)C=C)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C26H25N3O3/c1-5-22(30)28-20-8-6-7-16(14(20)2)17-11-12-19(25(27)31)24-23(17)18-10-9-15(26(3,4)32)13-21(18)29-24/h5-13,29,32H,1H2,2-4H3,(H2,27,31)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay				Bioorg Med Chem Lett 28: 3080-3084 (2018) Article DOI: 10.1016/j.bmcl.2018.07.041 BindingDB Entry DOI: 10.7270/Q2NZ8B9C
					More data for this Ligand-Target Pair