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BDBM50123474 1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2,3,4,7,8-pentaaza-cyclopenta[a]naphthalen-6-yl]-piperidine-4-carboxylic acid::CHEMBL410215

SMILES: CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(CC1)C(O)=O

InChI Key: InChIKey=QXNPRLSLFVPVRN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50123474   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50123474
PNG
(1-[9-(3-Chloro-4-methoxy-benzylamino)-3-ethyl-3H-2...)
Show SMILES CCn1ncc2c1ncc1c(nnc(NCc3ccc(OC)c(Cl)c3)c21)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H26ClN7O3/c1-3-32-22-17(13-28-32)20-16(12-27-22)23(31-8-6-15(7-9-31)24(33)34)30-29-21(20)26-11-14-4-5-19(35-2)18(25)10-14/h4-5,10,12-13,15H,3,6-9,11H2,1-2H3,(H,26,29)(H,33,34)
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Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human platelets


J Med Chem 46: 457-60 (2003)


Article DOI: 10.1021/jm0256068
BindingDB Entry DOI: 10.7270/Q2125S1G
More data for this
Ligand-Target Pair