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SMILES: Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O

InChI Key: InChIKey=IXLMSOZZIRFPBI-CJAUKZNDSA-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 3 hits for monomerid = 50494879   
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
Delta-type opioid receptor


(MOUSE)
BDBM50494879
PNG
(CHEMBL4296729)
Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13|
Show InChI InChI=1S/C27H28N2O3.2ClH/c30-20-6-5-17-12-24-27(32)14-19-11-18-3-1-2-4-22(18)28-23(19)15-26(27,21(17)13-20)9-10-29(24)16-25(31)7-8-25;;/h1-6,11,13,24,30-32H,7-10,12,14-16H2;2*1H/t24-,26-,27-;;/m1../s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.208n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting a...


Bioorg Med Chem 21: 7628-47 (2013)


Article DOI: 10.1016/j.bmc.2013.10.032
BindingDB Entry DOI: 10.7270/Q2VM4G71
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50494879
PNG
(CHEMBL4296729)
Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13|
Show InChI InChI=1S/C27H28N2O3.2ClH/c30-20-6-5-17-12-24-27(32)14-19-11-18-3-1-2-4-22(18)28-23(19)15-26(27,21(17)13-20)9-10-29(24)16-25(31)7-8-25;;/h1-6,11,13,24,30-32H,7-10,12,14-16H2;2*1H/t24-,26-,27-;;/m1../s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.725n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]-U-69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysis


Bioorg Med Chem 21: 7628-47 (2013)


Article DOI: 10.1016/j.bmc.2013.10.032
BindingDB Entry DOI: 10.7270/Q2VM4G71
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50494879
PNG
(CHEMBL4296729)
Show SMILES Cl.Cl.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1(O)CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:6:5:33:15.14.13,THB:10:11:33:15.14.13|
Show InChI InChI=1S/C27H28N2O3.2ClH/c30-20-6-5-17-12-24-27(32)14-19-11-18-3-1-2-4-22(18)28-23(19)15-26(27,21(17)13-20)9-10-29(24)16-25(31)7-8-25;;/h1-6,11,13,24,30-32H,7-10,12,14-16H2;2*1H/t24-,26-,27-;;/m1../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting anal...


Bioorg Med Chem 21: 7628-47 (2013)


Article DOI: 10.1016/j.bmc.2013.10.032
BindingDB Entry DOI: 10.7270/Q2VM4G71
More data for this
Ligand-Target Pair