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BDBM303144 US10137122, Compound 16

SMILES: Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3

InChI Key:

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 303144   
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
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM303144
PNG
(US10137122, Compound 16)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent


Assay Description
A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solution (5 μL), and 2× Kinase solution (10 μL) was prepared with assay buff...


US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303144
PNG
(US10137122, Compound 16)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.40E+4n/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent


Assay Description
Approximately 20,000 Response Units (RU) of anti GST-antibody (GE Healthcare Life Sciences) were immobilized on Flow Cell (FC) 1 and FC2 of a new, fr...


US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM303144
PNG
(US10137122, Compound 16)
Show SMILES Cc1[nH]nc2NC3=C(C(c12)c1ccccc1Br)C(=O)CC(C)(C)C3 |$;;;;;N;;;;;;;;;;;;;;;;;;$,c:6|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



The Broad Institute, Inc.; Dana-Farber Cancer Institute, Inc.; The General Hospital Corporation

US Patent


Assay Description
20 μL/well of 4.7 nM GSK3β and 7 μM peptide in KBA (250 mM HEPES (pH 7.5), 50 mM MgCl2, 5 mM EGTA, 0.05% BRIJ-35) were dispensed onto ...


US Patent US10137122 (2018)


BindingDB Entry DOI: 10.7270/Q2DJ5HPX
More data for this
Ligand-Target Pair