BDBM50111754 CHEMBL3605112

SMILES: Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1

InChI Key: InChIKey=UZSSYBYWFRVXCO-ATXBGUDXSA-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 = 50111754   

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))	BDBM50111754 (CHEMBL3605112) Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C24H32N4O10/c1-35-22(33)13-4-2-12(3-5-13)10-26-11-17(38-23-20(32)19(31)16(9-25)37-23)15-8-14(29)21(36-15)28-7-6-18(30)27-24(28)34/h2-7,14-17,19-21,23,26,29,31-32H,8-11,25H2,1H3,(H,27,30,34)/t14-,15+,16-,17+,19-,20-,21-,23+/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	421	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