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BDBM364555 N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-methoxy-5,6,7,8,9,10-hexahydro-9,4b- (epiminoethano)-8a,6- (epoxymethano)phenanthren-6-yl)-4- chlorobenzamide::US9862726, Compound 20

SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccc(Cl)cc3)c2c1

InChI Key: InChIKey=QGEKMBPVXYVJFJ-JPPNTJNGSA-N

Data: 2 KI

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 = 364555   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM364555
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-21-14-25-29-11-10-27(18-35-29,31-26(33)20-4-7-22(30)8-5-20)17-28(29,24(21)15-23)12-13-32(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H,31,33)/t25-,27?,28-,29-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.600n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


US Patent US9862726 (2018)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM364555
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-21-14-25-29-11-10-27(18-35-29,31-26(33)20-4-7-22(30)8-5-20)17-28(29,24(21)15-23)12-13-32(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H,31,33)/t25-,27?,28-,29-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
24.7n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


US Patent US9862726 (2018)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair