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BDBM309429 (2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dichlorobenzyl)-3a,8-dihydroxy- 1,2,3,3a,4,5-hexahydro-4,9b-(epimino- ethano)cyclopenta[a]naphthalene-2- carboxamide::US9656962, Compound 45

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)cc3Cl)c2c1

InChI Key:

Data: 1 EC50

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 1 hit for monomerid = 309429   
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/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM309429
PNG
((2S,3aS,4R,9bS)-12-(cyclopropylmethyl)- N-(2,4-dic...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H](C[C@@]34O)C(=O)NCc3ccc(Cl)cc3Cl)c2c1 |r,TLB:8:7:18:32.4.5|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.380n/an/an/an/a



Purdue Pharma L.P.

US Patent




US Patent US9656962 (2017)


BindingDB Entry DOI: 10.7270/Q2K076BH
More data for this
Ligand-Target Pair