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BDBM50290076 CHEMBL558596::N-[(S)-1-(3-Acetylamino-phenyl)-2-pyrrolidin-1-yl-ethyl]-2-(3,4-dichloro-phenyl)-N-methyl-acetamide; hydrochloride

SMILES: CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FCEBQYDCYXPCAL-JOCHJYFZSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50290076   
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))
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
0.0855n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor kappa1 binding to guinea pig brain membranes, using 1 nM [3H]- U69,593 as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
8.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor mu 1 binding to guinea pig brain membranes, using [3H]- DAMGO as radioligand


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50290076
PNG
(CHEMBL558596 | N-[(S)-1-(3-Acetylamino-phenyl)-2-p...)
Show SMILES CN([C@H](CN1CCCC1)c1cccc(NC(C)=O)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C23H27Cl2N3O2/c1-16(29)26-19-7-5-6-18(14-19)22(15-28-10-3-4-11-28)27(2)23(30)13-17-8-9-20(24)21(25)12-17/h5-9,12,14,22H,3-4,10-11,13,15H2,1-2H3,(H,26,29)/t22-/m1/s1
PDB

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PC cid
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UniChem
Article
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Opioid receptor delta 1 binding to guinea pig brain membranes, using 0.2 nM [3H]-naltrindole as radiolig...


Bioorg Med Chem Lett 7: 2271-2276 (1997)


Article DOI: 10.1016/S0960-894X(97)00406-X
BindingDB Entry DOI: 10.7270/Q2GB242Q
More data for this
Ligand-Target Pair