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SMILES: Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1

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 7 hits for monomerid = 50592449   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.24E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB
MMDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50592449
PNG
(CHEMBL5201911)
Show SMILES Oc1cccc(c1)-c1nn(cc1-c1ccnc(NCCNC(=O)Nc2cccc(c2)C(F)(F)F)c1)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.92E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116894
BindingDB Entry DOI: 10.7270/Q2474FVC
More data for this
Ligand-Target Pair