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BDBM50215106 8-pCPT-cAMP::CHEBI:84612::CHEMBL230552

SMILES: [H][C@@]12COP(O)(=O)O[C@@]1([H])[C@@H](O)[C@@H](O2)n1c(Sc2ccc(Cl)cc2)nc2c(N)ncnc12

InChI Key: InChIKey=AAZMHPMNAVEBRE-SDBHATRESA-N

Data: 1 EC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215106   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50215106
PNG
(8-pCPT-cAMP | CHEBI:84612 | CHEMBL230552)
Show SMILES Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C16H15ClN5O6PS/c17-7-1-3-8(4-2-7)30-16-21-10-13(18)19-6-20-14(10)22(16)15-11(23)12-9(27-15)5-26-29(24,25)28-12/h1-4,6,9,11-12,15,23H,5H2,(H,24,25)(H2,18,19,20)/t9-,11-,12-,15-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
n/an/an/an/a 2.00E+4n/an/an/an/a


TBA

Assay Description
Activation of cAMP dependent protein kinase (PKA)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2J968JF
More data for this
Ligand-Target Pair