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SMILES: Cc1ccccc1-n1ncc2c1nc(C[C@H]1CCCC[C@@H]1O)[nH]c2=O

InChI Key: InChIKey=CJBNXXQVZJWCPP-CJNGLKHVSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 130501   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))		BDBM130501
PNG
(US8822479, 34)
Show SMILES Cc1ccccc1-n1ncc2c1nc(C[C@H]1CCCC[C@@H]1O)[nH]c2=O |r|
Show InChI InChI=1S/C19H22N4O2/c1-12-6-2-4-8-15(12)23-18-14(11-20-23)19(25)22-17(21-18)10-13-7-3-5-9-16(13)24/h2,4,6,8,11,13,16,24H,3,5,7,9-10H2,1H3,(H,21,22,25)/t13-,16+/m1/s1
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Similars
US Patent
n/an/a 12n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...

US Patent US8822479 (2014)


BindingDB Entry DOI: 10.7270/Q2416VRP
More data for this
Ligand-Target Pair