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SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(C[C@@]34O)Nc3ccccc3C5=O)c2c1

InChI Key: InChIKey=ZYKAZXLZKNSDFZ-VNSJUHMKSA-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 = 50297169   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297169
PNG
((6R)-16-(Cyclopropylmethyl)-3,13b-dihydroxy-Cnormo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(C[C@@]34O)Nc3ccccc3C5=O)c2c1 |r,THB:8:7:18:29.4.5|
Show InChI InChI=1S/C26H28N2O3/c29-18-8-7-17-11-22-26(31)15-25(23(30)19-3-1-2-4-21(19)27-25)14-24(26,20(17)12-18)9-10-28(22)13-16-5-6-16/h1-4,7-8,12,16,22,27,29,31H,5-6,9-11,13-15H2/t22-,24-,25-,26-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Hartley guinea pig mu opioid receptor by liquid scintillation counter


Bioorg Med Chem 17: 5983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.06.067
BindingDB Entry DOI: 10.7270/Q2154H3Q
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50297169
PNG
((6R)-16-(Cyclopropylmethyl)-3,13b-dihydroxy-Cnormo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(C[C@@]34O)Nc3ccccc3C5=O)c2c1 |r,THB:8:7:18:29.4.5|
Show InChI InChI=1S/C26H28N2O3/c29-18-8-7-17-11-22-26(31)15-25(23(30)19-3-1-2-4-21(19)27-25)14-24(26,20(17)12-18)9-10-28(22)13-16-5-6-16/h1-4,7-8,12,16,22,27,29,31H,5-6,9-11,13-15H2/t22-,24-,25-,26-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13.4n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69493 from Hartley guinea pig kappa opioid receptor by liquid scintillation counter


Bioorg Med Chem 17: 5983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.06.067
BindingDB Entry DOI: 10.7270/Q2154H3Q
More data for this
Ligand-Target Pair