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SMILES: CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC

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 11 hits for monomerid = 547888   
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
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Interleukin-3


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 633n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 249n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.45n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.06n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,T790M,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 24n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.42n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 26n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 52n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-18,20-1210,C797S]


(Homo sapiens (Human))
BDBM547888
PNG
(WO2022090481, Example I-107)
Show SMILES CCCc1nc(cc2n(C)c(C(=O)N3CCN(C)CC3)c(C)c12)-n1ncc2c(C)nc(cc12)-c1cnccc1OC
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7.07n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair