BDBM50175577 CHEMBL3808547

SMILES: Nc1ncnc(N2CCN(CC2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=WWSYZDOYYGJBPV-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 = 50175577   

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))	BDBM50175577 (CHEMBL3808547) Show SMILES Nc1ncnc(N2CCN(CC2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H23N5O3/c1-2-20(30)28-12-14-29(15-13-28)24-21(23(25)26-16-27-24)22(31)17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h2-11,16H,1,12-15H2,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) assessed as reduction in phosphorylation of coumarin and fluorescein-labeled FRET peptide substrate incubated for ...				Bioorg Med Chem Lett 26: 3052-9 (2016) BindingDB Entry DOI: 10.7270/Q2VT1V1T
					More data for this Ligand-Target Pair