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SMILES: Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1

InChI Key: InChIKey=SCMAOCANZACXEE-KKAKYAENSA-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 = 50336683   
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


(Cavia porcellus (domestic guinea pig))
BDBM50336683
PNG
(CHEMBL1672490 | N-[(17-Cyclobutylmethyl-6beta,14be...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-10-9-22-15-25-29-12-11-27(34-29,19-30-26(33)21-7-2-1-3-8-21)18-28(29,24(22)16-23)13-14-31(25)17-20-5-4-6-20/h1-3,7-10,16,20,25,32H,4-6,11-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.133n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50336683
PNG
(CHEMBL1672490 | N-[(17-Cyclobutylmethyl-6beta,14be...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(C[C@]5(CNC(=O)c6ccccc6)CC[C@@]34O5)c2c1 |r,THB:8:7:30:32.4.5|
Show InChI InChI=1S/C29H34N2O3/c32-23-10-9-22-15-25-29-12-11-27(34-29,19-30-26(33)21-7-2-1-3-8-21)18-28(29,24(22)16-23)13-14-31(25)17-20-5-4-6-20/h1-3,7-10,16,20,25,32H,4-6,11-15,17-19H2,(H,30,33)/t25-,27+,28-,29-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.138n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain


Bioorg Med Chem 19: 1205-21 (2011)


Article DOI: 10.1016/j.bmc.2010.12.035
BindingDB Entry DOI: 10.7270/Q23N23P2
More data for this
Ligand-Target Pair