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BDBM3164 3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione::3-[1-(3-hydroxypropyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione::Bisindolylmaleimide 5b::ROCHE screening, 48

SMILES: Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12

InChI Key: InChIKey=FUVJGBQDHCCGCD-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to 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 3 hits for monomerid = 3164   
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
Protein Kinase C


(Rattus norvegicus (rat))
BDBM3164
PNG
(3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 130n/an/an/an/a7.530



Roche Products Limited



Assay Description
The activity of PKC, activated by phosphatidylerine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich his...


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM3164
PNG
(3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3164
PNG
(3-[1-(3-Hydroxypropyl)-3-indolyl]-4-(1-methyl-3-in...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C24H21N3O3/c1-26-13-17(15-7-2-4-9-19(15)26)21-22(24(30)25-23(21)29)18-14-27(11-6-12-28)20-10-5-3-8-16(18)20/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,25,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.42E+4n/an/an/an/a8.537



Roche Products Limited



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 35: 994-1001 (1992)


Article DOI: 10.1021/jm00084a004
BindingDB Entry DOI: 10.7270/Q2M043KK
More data for this
Ligand-Target Pair