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SMILES: CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc12

InChI Key:

PDB links: 5 PDB IDs match 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 2 hits for monomerid = 50549223   
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
GTPase KRas


(Homo sapiens (Human))
BDBM50549223
PNG
(CHEMBL4796065)
Show SMILES CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GTPase KRas


(Homo sapiens (Human))
BDBM50549223
PNG
(CHEMBL4796065)
Show SMILES CN(C)Cc1[nH]c2ccccc2c1[C@H]1NC(=O)c2ccc(O)cc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01312
BindingDB Entry DOI: 10.7270/Q2T1578S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)