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SMILES: Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1

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 8 hits for monomerid = 525451   
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 [695-745,751-1022,T790M,C797S]


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB

UniProtKB/SwissProt

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


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40.1n/an/an/an/an/an/a


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [695-1022]


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+3n/an/an/an/an/an/a


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00876
BindingDB Entry DOI: 10.7270/Q2QF8XXX
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [695-1022]


(Homo sapiens (Human))
BDBM525451
PNG
(US11174245, # I-036)
Show SMILES Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(5.75,-2.98,;5.75,-1.44,;4.5,-.53,;4.98,.93,;6.52,.93,;6.99,-.53,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-1.66,-3.44,;-1.27,-4.93,;-3.15,-3.05,;-3.55,-1.56,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 407n/an/an/an/an/an/a


TBA

Assay Description
5 μL of EGFR enzyme form in assay buffer (50 mM HEPES pH 7.3, 10 mM MgCl2, 1 mM EGTA, 0.01% Tween 20, 2 mM DTT) are dispensed into columns 1-23,...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2MP56F9
More data for this
Ligand-Target Pair