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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'floc''h' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580186
PNG
(CHEMBL5094480)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580187
PNG
(CHEMBL5087815)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580185
PNG
(CHEMBL5077378)
Show SMILES COc1cc(N2CCC(CC2)N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580188
PNG
(CHEMBL5086066)
Show SMILES COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580192
PNG
(CHEMBL5078413)
Show SMILES CCP(=O)(CC)c1ccccc1Nc1nc(Nc2cc(-c3cnn(C)c3)c(cc2OC)N2CCOCC2)ncc1Cl
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580189
PNG
(CHEMBL5087610)
Show SMILES COc1cc(N2CCN(C)CC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580190
PNG
(CHEMBL5087264)
Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580191
PNG
(CHEMBL5081299)
Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cn[nH]c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50185140
PNG
(AP-26113 | Brigatinib | US11248003, Example Brigat...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Wild type EGFR (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50580190
PNG
(CHEMBL5087264)
Show SMILES COc1cc(N2CCOCC2)c(cc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)-c1cnn(C)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50185140
PNG
(AP-26113 | Brigatinib | US11248003, Example Brigat...)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 203n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01055
BindingDB Entry DOI: 10.7270/Q2959NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)