Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM267956'   

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))	BDBM267956 (4-(8-amino-3-{4-[(1-cyanocyclopropyl)carbonyl]-1,1...) Show SMILES COCCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C27H26F3N7O3S/c1-40-12-7-21(38)36-11-13-41-19(15-36)25-35-22(23-24(31)33-9-10-37(23)25)16-2-4-17(5-3-16)26(39)34-20-14-18(6-8-32-20)27(28,29)30/h2-6,8-10,14,19H,7,11-13,15H2,1H3,(H2,31,33)(H,32,34,39)	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	6.60	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))	BDBM267956 (4-(8-amino-3-{4-[(1-cyanocyclopropyl)carbonyl]-1,1...) Show SMILES COCCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C27H26F3N7O3S/c1-40-12-7-21(38)36-11-13-41-19(15-36)25-35-22(23-24(31)33-9-10-37(23)25)16-2-4-17(5-3-16)26(39)34-20-14-18(6-8-32-20)27(28,29)30/h2-6,8-10,14,19H,7,11-13,15H2,1H3,(H2,31,33)(H,32,34,39)	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	550	n/a	n/a	n/a	n/a	7.2	n/a
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description BTK enzymatic activity was determined in an IMAP-FP assay (Immobilized Metal ion Affinity-based fluorescence Polarization; Molecular Devices). Using ...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair