BDBM50245639 CHEMBL4088485

SMILES: Cc1c(NC(=O)c2ccc3OCCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1

InChI Key: InChIKey=JELBXTYWPDPGFJ-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 = 50245639   

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))	BDBM50245639 (CHEMBL4088485) Show SMILES Cc1c(NC(=O)c2ccc3OCCOc3c2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C36H35N5O7/c1-4-33(42)38-29-20-25(9-10-27(29)35(44)41-12-14-46-15-13-41)37-30-18-24(21-40(3)36(30)45)26-6-5-7-28(22(26)2)39-34(43)23-8-11-31-32(19-23)48-17-16-47-31/h4-11,18-21,37H,1,12-17H2,2-3H3,(H,38,42)(H,39,43)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair