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SMILES: COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)Nc3ccc(Cl)cc3)c2c1

InChI Key: InChIKey=MALBTLRQBDCACU-JPPNTJNGSA-N

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 = 364560   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM364560
PNG
(1-Chlorophenyl-3-((4bR,6S,8aS,9R)-11- (cyclopropyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)Nc3ccc(Cl)cc3)c2c1 |r,TLB:9:8:20:34.5.6|
Show InChI InChI=1S/C29H34ClN3O3/c1-35-23-9-4-20-14-25-29-11-10-27(18-36-29,32-26(34)31-22-7-5-21(30)6-8-22)17-28(29,24(20)15-23)12-13-33(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H2,31,32,34)/t25-,27?,28-,29-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
2.56n/an/an/an/an/an/an/an/a



GNF



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...


J Med Chem 50: 4255-9 (2007)


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


(Homo sapiens (Human))
BDBM364560
PNG
(1-Chlorophenyl-3-((4bR,6S,8aS,9R)-11- (cyclopropyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)Nc3ccc(Cl)cc3)c2c1 |r,TLB:9:8:20:34.5.6|
Show InChI InChI=1S/C29H34ClN3O3/c1-35-23-9-4-20-14-25-29-11-10-27(18-36-29,32-26(34)31-22-7-5-21(30)6-8-22)17-28(29,24(20)15-23)12-13-33(25)16-19-2-3-19/h4-9,15,19,25H,2-3,10-14,16-18H2,1H3,(H2,31,32,34)/t25-,27?,28-,29-/m1/s1
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.51n/an/an/an/an/an/an/an/a



GNF



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...


J Med Chem 50: 4255-9 (2007)


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