BDBM50512812 CHEMBL4443744

SMILES: Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=XBDJOHFSSGIZTB-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 = 50512812   

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))	BDBM50512812 (CHEMBL4443744) Show SMILES Fc1cnc(Nc2ccc(OCCSC(=S)N3CCCC3)cc2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C26H27FN6O2S2/c1-2-23(34)29-19-6-5-7-20(16-19)30-24-22(27)17-28-25(32-24)31-18-8-10-21(11-9-18)35-14-15-37-26(36)33-12-3-4-13-33/h2,5-11,16-17H,1,3-4,12-15H2,(H,29,34)(H2,28,30,31,32)	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	155	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