BDBM50512814 CHEMBL4466032

SMILES: Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cnccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=QYRQFIIHUAXCQB-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 = 50512814   

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))	BDBM50512814 (CHEMBL4466032) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3cnccn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C27H25FN8O2S2/c1-2-24(37)33-19-4-3-5-20(14-19)34-25-23(28)17-31-26(36-25)35-18-6-8-22(9-7-18)38-12-13-40-27(39)32-16-21-15-29-10-11-30-21/h2-11,14-15,17H,1,12-13,16H2,(H,32,39)(H,33,37)(H2,31,34,35,36)	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	8.5	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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