Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50134371'   

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))	BDBM50134371 (CHEMBL3747742) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C33H35ClN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50134371 (CHEMBL3747742) Show SMILES CN1CCN(C)C(=O)C1c1ccc(Nc2nc(cn(C)c2=O)-c2ccc(C)c(NC(=O)c3cc4CCCCc4s3)c2Cl)cc1 Show InChI InChI=1S/C33H35ClN6O3S/c1-19-9-14-23(27(34)28(19)37-31(41)26-17-21-7-5-6-8-25(21)44-26)24-18-40(4)33(43)30(36-24)35-22-12-10-20(11-13-22)29-32(42)39(3)16-15-38(29)2/h9-14,17-18,29H,5-8,15-16H2,1-4H3,(H,35,36)(H,37,41)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) by Lanthascreen assay				Bioorg Med Chem Lett 26: 575-9 (2016) Article DOI: 10.1016/j.bmcl.2015.11.076 BindingDB Entry DOI: 10.7270/Q2222WMH
					More data for this Ligand-Target Pair