BDBM236018 US9365562, 56

SMILES: Cc1nc(-c2c(F)cccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=QOKYUCIKRDCXNZ-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 = 236018   

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
Phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM236018 (US9365562, 56) Show SMILES Cc1nc(-c2c(F)cccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C |(-6.46,-3.49,;-5.96,-2.03,;-6.8,-.72,;-5.9,.53,;-6.29,2.02,;-7.78,2.41,;-8.87,1.33,;-8.18,3.9,;-7.09,4.99,;-5.6,4.59,;-5.21,3.11,;-3.72,3.5,;-4.43,.05,;-4.43,-1.49,;-3.1,.82,;-1.76,.05,;-.43,.82,;-.43,2.36,;-1.76,3.19,;-1.76,4.73,;-3.1,2.36,;.9,.05,;1.3,-1.43,;2.79,-1.04,;2.39,.45,;4.12,-1.81,;4.28,-3.34,;5.79,-3.66,;6.56,-4.99,;8.1,-4.99,;8.87,-3.66,;8.1,-2.32,;6.56,-2.32,;5.53,-1.18,;5.85,.33,)| Show InChI InChI=1S/C25H22F2N8/c1-14-28-21(34-12-16(13-34)24-31-19-9-4-5-10-20(19)33(24)3)11-22(29-14)35-25(30-15(2)32-35)23-17(26)7-6-8-18(23)27/h4-11,16H,12-13H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.240	-13.1	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9365562 (2016) BindingDB Entry DOI: 10.7270/Q2ST7NQZ
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