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

InChI Key: InChIKey=UDQLDEQRZBSHDY-RNXRYKQUSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 364559   
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))
BDBM364559
PNG
(4-Chloro-N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NS(=O)(=O)c3ccc(Cl)cc3)c2c1 |r,THB:9:8:20:34.5.6|
Show InChI InChI=1S/C28H33ClN2O4S/c1-34-22-7-4-20-14-25-28-11-10-26(18-35-28,30-36(32,33)23-8-5-21(29)6-9-23)17-27(28,24(20)15-22)12-13-31(25)16-19-2-3-19/h4-9,15,19,25,30H,2-3,10-14,16-18H2,1H3/t25-,26?,27-,28-/m1/s1
PDB

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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0570n/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))
BDBM364559
PNG
(4-Chloro-N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NS(=O)(=O)c3ccc(Cl)cc3)c2c1 |r,THB:9:8:20:34.5.6|
Show InChI InChI=1S/C28H33ClN2O4S/c1-34-22-7-4-20-14-25-28-11-10-26(18-35-28,30-36(32,33)23-8-5-21(29)6-9-23)17-27(28,24(20)15-22)12-13-31(25)16-19-2-3-19/h4-9,15,19,25,30H,2-3,10-14,16-18H2,1H3/t25-,26?,27-,28-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.290n/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