Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50543366'   

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))	BDBM50543366 (CHEMBL4644856) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H31N5O4/c1-28(2)12-17-11-22-27(37)33(9-8-32(22)23(17)13-28)24-20(15-34)19(6-7-29-24)18-10-21(26(36)31(3)14-18)30-25(35)16-4-5-16/h6-7,10-11,14,16,34H,4-5,8-9,12-13,15H2,1-3H3,(H,30,35)	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
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543366 (CHEMBL4644856) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C28H31N5O4/c1-28(2)12-17-11-22-27(37)33(9-8-32(22)23(17)13-28)24-20(15-34)19(6-7-29-24)18-10-21(26(36)31(3)14-18)30-25(35)16-4-5-16/h6-7,10-11,14,16,34H,4-5,8-9,12-13,15H2,1-3H3,(H,30,35)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in anti-IgM-stimulated CD69 expression preincubated for 1 hr followed by goat F(ab')2 an...				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair