Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM467435'   

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))	BDBM467435 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467435 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) expressed in baculovirus expression system assessed as inhibition con...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM467435 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| Show InChI	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	126	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description TBD				US Patent US10800792 (2020) BindingDB Entry DOI: 10.7270/Q2N019K7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM467435 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in C57Bl/6 mouse splenocyte assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr followed anti-IgM stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Mus musculus)	BDBM467435 ((R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-...) Show SMILES Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BTK in C57Bl/6 mouse splenocyte assessed as reduction in anti-IgM-induced CD69 expression incubated for 1 hr followed anti-IgM stimulat...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00044 BindingDB Entry DOI: 10.7270/Q25D8WM5
					More data for this Ligand-Target Pair