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SMILES: CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1

InChI Key:

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50602487   
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


(Homo sapiens (Human))
BDBM50602487
PNG
(CHEMBL5183286)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602487
PNG
(CHEMBL5183286)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602487
PNG
(CHEMBL5183286)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 5.80n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50602487
PNG
(CHEMBL5183286)
Show SMILES CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2C(=O)c3ccccc3C2=O)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00848
BindingDB Entry DOI: 10.7270/Q2Q52TQZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)