BDBM50512826 CHEMBL4583844

SMILES: Fc1cccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)c1

InChI Key: InChIKey=DMBXMIZPUUWOLI-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 = 50512826   

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))	BDBM50512826 (CHEMBL4583844) Show SMILES Fc1cccc(CNC(=S)SCCOc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)c1 Show InChI InChI=1S/C29H26F2N6O2S2/c1-2-26(38)34-22-7-4-8-23(16-22)35-27-25(31)18-32-28(37-27)36-21-9-11-24(12-10-21)39-13-14-41-29(40)33-17-19-5-3-6-20(30)15-19/h2-12,15-16,18H,1,13-14,17H2,(H,33,40)(H,34,38)(H2,32,35,36,37)	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	6.90	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
					More data for this Ligand-Target Pair