BDBM301648 US10131675, Example 135

SMILES: Nc1ncc(cc1OC(F)F)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1

InChI Key: InChIKey=ZPNPMOQKTZUNGD-UHFFFAOYSA-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 = 301648   

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
Mitogen-activated protein kinase kinase kinase 12 (Homo sapiens (Human))	BDBM301648 (US10131675, Example 135) Show SMILES Nc1ncc(cc1OC(F)F)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1 |(-6.46,-2.72,;-5.13,-1.95,;-5.13,-.41,;-3.79,.36,;-2.46,-.41,;-2.46,-1.95,;-3.79,-2.72,;-3.79,-4.27,;-5.13,-5.04,;-6.46,-4.27,;-5.13,-6.57,;-1.13,.36,;-1.13,1.9,;.21,2.67,;.21,4.21,;-1.04,5.11,;-.56,6.57,;.98,6.57,;1.45,5.11,;-.09,5.11,;1.54,1.9,;3.01,2.37,;3.91,1.13,;5.45,1.13,;6.46,.03,;6.19,-1.48,;4.83,-2.21,;3.41,-1.61,;3.01,-.12,;1.54,.36,;.21,-.41,)| Show InChI InChI=1S/C20H21F2N7O2/c21-20(22)31-13-6-11(7-24-16(13)23)17-26-18-15(25-14-9-30-3-1-2-28(14)18)19(27-17)29-8-10-4-12(29)5-10/h6-7,10,12,20H,1-5,8-9H2,(H2,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...				US Patent US10131675 (2018) BindingDB Entry DOI: 10.7270/Q21G0P92
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