BDBM50111750 CHEMBL3605097

SMILES: Nc1ncc(-c2ccncc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12

InChI Key: InChIKey=NZRGWJFAVCBWFI-UDHQNBHYSA-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 = 50111750   

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))	BDBM50111750 (CHEMBL3605097) Show SMILES Nc1ncc(-c2ccncc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C23H32N4O8/c24-11-16-19(30)20(31)22(34-16)35-17(12-25-8-6-13-4-2-1-3-5-13)15-10-14(28)21(33-15)27-9-7-18(29)26-23(27)32/h1-5,7,9,14-17,19-22,25,28,30-31H,6,8,10-12,24H2,(H,26,29,32)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay				Bioorg Med Chem 23: 6059-68 (2015) BindingDB Entry DOI: 10.7270/Q2445P7J
					More data for this Ligand-Target Pair