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BDBM50045748 3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-piperidin-4-yl}-phenol::CHEMBL97767

SMILES: C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=OUQSVIMEPHKVHK-HRAATJIYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50045748   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50045748
PNG
(3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.300n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045748
PNG
(3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
54n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by displacement of [3H]-NAL at 100 nM from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50045748
PNG
(3-{1-[2-(3-Chloro-phenyl)-ethyl]-3,4-dimethyl-pipe...)
Show SMILES C[C@H]1CN(CCc2cccc(Cl)c2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C21H26ClNO/c1-16-15-23(11-9-17-5-3-7-19(22)13-17)12-10-21(16,2)18-6-4-8-20(24)14-18/h3-8,13-14,16,24H,9-12,15H2,1-2H3/t16-,21+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
82n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at 100 nM from guinea pig cortical tissue


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair