Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50244469'   

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))	BDBM50244469 (CHEMBL4090946) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CCCCc4c(F)c3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C37H41FN6O4/c1-23-18-24(19-31(35(23)46)40-25-6-8-26(9-7-25)41-12-14-42(15-13-41)27-21-48-22-27)28-10-11-39-36(30(28)20-45)44-17-16-43-32-5-3-2-4-29(32)33(38)34(43)37(44)47/h6-11,18-19,23,27,40,45H,2-5,12-17,20-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal polyhistidine tagged BTK (1 to 659 residues)-mediated synthetic peptide substrate phosphorylation expresse...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244469 (CHEMBL4090946) Show SMILES CC1C=C(C=C(Nc2ccc(cc2)N2CCN(CC2)C2COC2)C1=O)c1ccnc(N2CCn3c4CCCCc4c(F)c3C2=O)c1CO |c:2,t:4| Show InChI InChI=1S/C37H41FN6O4/c1-23-18-24(19-31(35(23)46)40-25-6-8-26(9-7-25)41-12-14-42(15-13-41)27-21-48-22-27)28-10-11-39-36(30(28)20-45)44-17-16-43-32-5-3-2-4-29(32)33(38)34(43)37(44)47/h6-11,18-19,23,27,40,45H,2-5,12-17,20-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	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-derived CD19+ B cells assessed as suppression of anti-IgM stimulated-CD69 expression preincubated for 1 hr fol...				J Med Chem 61: 2227-2245 (2018) Article DOI: 10.1021/acs.jmedchem.7b01712 BindingDB Entry DOI: 10.7270/Q2H134F7
					More data for this Ligand-Target Pair