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BDBM50236526 CHEMBL4089806

SMILES: CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O

InChI Key:

Data: 2 KI  2 IC50

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 = 50236526   
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
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50236526
PNG
(CHEMBL4089806)
Show SMILES CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
More data for this
Ligand-Target Pair
Heat shock protein HSP90


(Homo sapiens (Human))
BDBM50236526
PNG
(CHEMBL4089806)
Show SMILES CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.23E+3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50236526
PNG
(CHEMBL4089806)
Show SMILES CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.97E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM50236526
PNG
(CHEMBL4089806)
Show SMILES CN(C)C(=O)c1ccc(cc1)N(C)C(=O)c1ccc(O)cc1O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

Curated by ChEMBL




J Med Chem 60: 2271-2286 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01478
More data for this
Ligand-Target Pair