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SMILES: CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1

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 3 hits for monomerid = 50607757   
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
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607757
PNG
(CHEMBL5218822)
Show SMILES CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:15|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50607757
PNG
(CHEMBL5218822)
Show SMILES CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:15|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50607757
PNG
(CHEMBL5218822)
Show SMILES CCS(=O)(=O)c1ccc2[C@@H](C)C(=O)N(C)C=C(c3cnn(C)c3)c2c1 |r,t:15|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01102
BindingDB Entry DOI: 10.7270/Q2QN6BWR
More data for this
Ligand-Target Pair