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SMILES: CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50600950   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50600950
PNG
(CHEMBL5195027)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)|
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50600950
PNG
(CHEMBL5195027)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(Br)cnc2n(CCCCF)c1=O |(7.33,5.77,;6,5.01,;4.66,5.77,;3.33,5.01,;3.33,3.46,;4.66,2.69,;6,3.46,;2,2.69,;.66,3.46,;.66,5.01,;-.67,2.69,;-2.01,3.46,;-3.34,2.7,;-4.66,3.47,;-6,2.7,;-7.33,3.47,;-6,1.15,;-4.66,.39,;-3.34,1.16,;-2,.39,;-2,-1.15,;-3.33,-1.92,;-3.33,-3.46,;-4.66,-4.24,;-4.66,-5.77,;-.67,1.16,;.67,.39,)|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00256
BindingDB Entry DOI: 10.7270/Q2Z89HGZ
More data for this
Ligand-Target Pair