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BDBM50366349 CHEMBL543707

SMILES: CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1cccs1)c1cccs1

InChI Key: InChIKey=ULCRRMNULADPFF-RBUKOAKNSA-N

Data: 3 KI

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 = 50366349   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366349
PNG
(CHEMBL543707)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H26N2O2S2/c1-24(23(27)22(20-9-5-13-28-20)21-10-6-14-29-21)19(17-7-3-2-4-8-17)16-25-12-11-18(26)15-25/h2-10,13-14,18-19,22,26H,11-12,15-16H2,1H3/t18-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity at K opioid receptor on membranes prepared from guinea pig cerebellum by [3H]- 69593 displacement.


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366349
PNG
(CHEMBL543707)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H26N2O2S2/c1-24(23(27)22(20-9-5-13-28-20)21-10-6-14-29-21)19(17-7-3-2-4-8-17)16-25-12-11-18(26)15-25/h2-10,13-14,18-19,22,26H,11-12,15-16H2,1H3/t18-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity to mu opioid receptor determined in the presence of [3H]- PL 017 using membranes prepared from rat cerebrum


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50366349
PNG
(CHEMBL543707)
Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)C(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H26N2O2S2/c1-24(23(27)22(20-9-5-13-28-20)21-10-6-14-29-21)19(17-7-3-2-4-8-17)16-25-12-11-18(26)15-25/h2-10,13-14,18-19,22,26H,11-12,15-16H2,1H3/t18-,19+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity to delta opioid receptor determined in the presence of [3H]- [D-Pen2,5]enkephalin using membranes prepared from rat cerebrum


Bioorg Med Chem Lett 4: 677-682 (1994)


Article DOI: 10.1016/S0960-894X(01)80179-7
BindingDB Entry DOI: 10.7270/Q28C9WRX
More data for this
Ligand-Target Pair