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SMILES: COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1

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 6 hits for monomerid = 647633   
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
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS [G2032R]


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor [G1202R]


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 27.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor [G667C]


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.75n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM647633
PNG
(T-01 | US20240025908, Example 1)
Show SMILES COc1ccc(F)cc1[C@@H](C)Nc1ccn2ncc(NC3=NC(C)(C)CO3)c2n1 |r,t:21|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair