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BDBM15216 Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorobenzyloxy)pyrrolidin-2-yl-methyl)amide::N-{[(2S,4R)-4-[(4-chlorophenyl)methoxy]pyrrolidin-2-yl]methyl}isoquinoline-5-sulfonamide::isoquinoline-5-sulfonamide 48

SMILES: Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1

InChI Key: InChIKey=RLNNFNGBXLTQOB-RBUKOAKNSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 15216   
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
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15216
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM15216
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)

More data for this
Ligand-Target Pair