BDBM50512839 CHEMBL4460184

SMILES: Fc1cnc(Nc2ccc(OCCSC(=S)NC3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=RMZMZSYMDNMICE-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 = 50512839   

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))	BDBM50512839 (CHEMBL4460184) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NC3CCCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C28H31FN6O2S2/c1-2-25(36)31-21-9-6-10-22(17-21)32-26-24(29)18-30-27(35-26)33-20-11-13-23(14-12-20)37-15-16-39-28(38)34-19-7-4-3-5-8-19/h2,6,9-14,17-19H,1,3-5,7-8,15-16H2,(H,31,36)(H,34,38)(H2,30,32,33,35)	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	115	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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