Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50269560'   

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))	BDBM50269560 (CHEMBL4078497) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-7-18(8-12-38)25-37-22(23-24(33)35-10-13-39(23)25)17-2-4-19(5-3-17)26(40)36-21-14-20(6-9-34-21)29(30,31)32/h2-6,9-10,13-14,18H,7-8,11-12,15-16H2,1H3,(H2,33,35)(H,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269560 (CHEMBL4078497) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-7-18(8-12-38)25-37-22(23-24(33)35-10-13-39(23)25)17-2-4-19(5-3-17)26(40)36-21-14-20(6-9-34-21)29(30,31)32/h2-6,9-10,13-14,18H,7-8,11-12,15-16H2,1H3,(H2,33,35)(H,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair