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SMILES: Oc1ccc(CCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1

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 2 hits for monomerid = 50600871   
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
Toll-like receptor 2


(Mus musculus)
BDBM50600871
PNG
(CHEMBL5201759)
Show SMILES Oc1ccc(CCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8
More data for this
Ligand-Target Pair
Toll-like receptor 1


(Homo sapiens)
BDBM50600871
PNG
(CHEMBL5201759)
Show SMILES Oc1ccc(CCCCCCCCNC(=O)[C@@H]2CN(C[C@H]2C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)c2ccc(cc2)C(=O)N2C[C@H]([C@@H](C2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.150n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00419
BindingDB Entry DOI: 10.7270/Q26T0RQ8
More data for this
Ligand-Target Pair