BDBM50512840 CHEMBL4590126

SMILES: Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccc(cc3)C#N)cc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=ZGJVASMUMZLZTP-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 = 50512840   

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))	BDBM50512840 (CHEMBL4590126) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)NCc3ccc(cc3)C#N)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C30H26FN7O2S2/c1-2-27(39)35-23-4-3-5-24(16-23)36-28-26(31)19-33-29(38-28)37-22-10-12-25(13-11-22)40-14-15-42-30(41)34-18-21-8-6-20(17-32)7-9-21/h2-13,16,19H,1,14-15,18H2,(H,34,41)(H,35,39)(H2,33,36,37,38)	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	8.60	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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