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PDB code 1YDR

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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
cAMP-dependent protein kinase

  (339/350 = 97%)
(Oryctolagus cuniculus (Rabbit))
BDBM50366348
PNG
(CHEMBL1233654)
Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Institute for Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory constant against cAPK (PKA)


J Biol Chem 271: 26157-64 (1996)


BindingDB Entry DOI: 10.7270/Q2BR8T3M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma

  (323/350 = 92%)
(Homo sapiens (Human))
BDBM50366348
PNG
(CHEMBL1233654)
Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r|
Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-AMP dependent kinase (PKA) using histone II A protein


Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output