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BDBM28394 (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid::pyrazine inhibitor, 1

SMILES: CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1

InChI Key: InChIKey=DTBFDAJNODVUMF-VOTSOKGWSA-N

Data: 5 IC50

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 28394   
Target
(Institution)
LigandTarget
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
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Article
PubMed
n/an/a 57n/an/an/an/a7.522



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The activity of Pim kinase was measured in a homogeneous luciferase assay using GST-Pim, biotinylated peptide substrate and a luciferin-luciferase de...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
PDB
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KEGG

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antibodypedia
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PC cid
PC sid
PDB
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AffyNet 
Article
PubMed
n/an/a 40n/an/an/an/a7.522



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The activity of Pim kinase was measured in a homogeneous luciferase assay using GST-Pim, biotinylated peptide substrate and a luciferin-luciferase de...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive inhibition of PIM1 in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (human))
BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
PDB
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KEGG

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PC sid
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Competitive inhibition of PIM2 in presence of ATP


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM28394
PNG
((2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2...)
Show SMILES CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
Show InChI InChI=1S/C19H22N4O2/c1-22-8-3-9-23(11-10-22)18-14-20-13-17(21-18)16-5-2-4-15(12-16)6-7-19(24)25/h2,4-7,12-14H,3,8-11H2,1H3,(H,24,25)/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
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AffyNet 
PDB
Article
PubMed
n/an/a 57n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)