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SMILES: C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1

InChI Key:

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 18 hits for monomerid = 50549854   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
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PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>4.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
>7.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.80E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50549854
PNG
(CHEMBL4784202)
Show SMILES C[C@@H](CNC(=O)Nc1nc(C)c(s1)C#Cc1cncc(C)c1)OCC1CC1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 380n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair