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SMILES: COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC

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 4 hits for monomerid = 50596629   
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
P2X purinoceptor 2


(Homo sapiens (Human))
BDBM50596629
PNG
(CHEMBL5200337)
Show SMILES COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 732n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50596629
PNG
(CHEMBL5200337)
Show SMILES COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 5


(Homo sapiens (Human))
BDBM50596629
PNG
(CHEMBL5200337)
Show SMILES COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.65E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM50596629
PNG
(CHEMBL5200337)
Show SMILES COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC |TLB:19:18:21:15.14.13,19:14:21:18.20.17,THB:17:18:21.16.15:13,17:16:18.20.19:13|
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.46E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114162
BindingDB Entry DOI: 10.7270/Q2S46X0K
More data for this
Ligand-Target Pair