BDBM50512841 CHEMBL4447148

SMILES: CC(C)N1CCN(CC1)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

InChI Key: InChIKey=ZABKWTMYYKKQLH-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50512841   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50512841 (CHEMBL4447148) Show SMILES CC(C)N1CCN(CC1)C(=S)SCCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1 Show InChI InChI=1S/C31H38FN7O2S2/c1-4-28(40)34-24-8-7-9-25(20-24)35-29-27(32)21-33-30(37-29)36-23-10-12-26(13-11-23)41-18-5-6-19-43-31(42)39-16-14-38(15-17-39)22(2)3/h4,7-13,20-22H,1,5-6,14-19H2,2-3H3,(H,34,40)(H2,33,35,36,37)	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	131	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 h...				Bioorg Med Chem 27: 4124-4142 (2019) Article DOI: 10.1016/j.bmc.2019.07.043
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