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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B' and Ligand = 'BDBM168126'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1 | US9598426, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
US Patent
1n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent




US Patent US9598426 (2017)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q29S1T2J
More data for this
Ligand-Target Pair