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SMILES: COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N

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 = 50554817   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 2.20n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 8.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 5.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 4.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 31n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Death-associated protein kinase 2


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 260n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a>3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 950n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Insulin receptor-related protein


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 1.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leukocyte tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 6.30n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50554817
PNG
(CHEMBL4764610)
Show SMILES COc1cc2c(c(F)c1N1C[C@H](C)N(C)[C@H](C)C1)n(C(C)C)c1[nH]c3cc(ccc3c1c2=O)C#N |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
n/an/a 8.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair