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BDBM50104205 5-Chloro-8-[5-((R)-3-dimethylamino-pyrrolidine-1-sulfonyl)-2-propoxy-phenyl]-2-(4-methoxy-benzyl)-2,7-dihydro-2,3,4,7,9-pentaaza-cyclopenta[a]naphthalen-6-one::CHEMBL76827

SMILES: CCCOc1ccc(cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(Cl)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C

InChI Key: InChIKey=LKRDLYGCRSZOTL-HXUWFJFHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104205   
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))
BDBM50104205
PNG
(5-Chloro-8-[5-((R)-3-dimethylamino-pyrrolidine-1-s...)
Show SMILES CCCOc1ccc(cc1-c1nc2c3cn(Cc4ccc(OC)cc4)nc3nc(Cl)c2c(=O)[nH]1)S(=O)(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C31H34ClN7O5S/c1-5-14-44-25-11-10-22(45(41,42)39-13-12-20(17-39)37(2)3)15-23(25)29-33-27-24-18-38(16-19-6-8-21(43-4)9-7-19)36-30(24)34-28(32)26(27)31(40)35-29/h6-11,15,18,20H,5,12-14,16-17H2,1-4H3,(H,33,35,40)/t20-/m1/s1
PDB
MMDB

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PubMed
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair