BDBM351759 US9796716, Compound 5

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=FEJDDIAELSPVHM-XMMPIXPASA-N

Data: 1 KI

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 = 351759   

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))	BDBM351759 (US9796716, Compound 5) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cccc(OCc5ccccc5)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C32H30N6O3/c1-2-28(39)37-17-7-10-24(19-37)38-32-29(31(33)34-21-35-32)30(36-38)23-13-15-25(16-14-23)41-27-12-6-11-26(18-27)40-20-22-8-4-3-5-9-22/h2-6,8-9,11-16,18,21,24H,1,7,10,17,19-20H2,(H2,33,34,35)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
PHARMASCIENCE, INC. US Patent					Assay Description Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...				US Patent US9796716 (2017) BindingDB Entry DOI: 10.7270/Q2MW2K8J
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