BDBM50388181 CHEMBL2057913

SMILES: COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12

InChI Key: InChIKey=CZLOACNARDIGFV-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388181   

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))	BDBM50388181 (CHEMBL2057913) Show SMILES COc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12 Show InChI InChI=1S/C27H24Cl3N5O3/c1-3-22(36)34-10-4-5-16(13-34)25-24(30)23(26-27(31)32-14-33-35(25)26)15-6-9-20(21(11-15)37-2)38-17-7-8-18(28)19(29)12-17/h3,6-9,11-12,14,16H,1,4-5,10,13H2,2H3,(H2,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of human BTK by enzymatic assay				J Med Chem 55: 4539-50 (2012) Article DOI: 10.1021/jm300035p BindingDB Entry DOI: 10.7270/Q27H1KMF
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