Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM291407'   

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))	BDBM291407 (N-((1,3-cis-3-((6-amino-5-(4-phenoxyphenyl)pyrimid...) Show SMILES Nc1ncnc(N[C@@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,9.11,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17+	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291407 (N-((1,3-cis-3-((6-amino-5-(4-phenoxyphenyl)pyrimid...) Show SMILES Nc1ncnc(N[C@@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,9.11,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17+	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	<100	n/a	n/a	n/a	n/a	7.5	27
Merck Patent GmbH US Patent					Assay Description The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...				US Patent US9580449 (2017) BindingDB Entry DOI: 10.7270/Q28K7C4Z
					More data for this Ligand-Target Pair