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BDBM50089071 ({1-[2-({1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-phenyl-propionyl]-pyrrolidine-2-carbonyl}-amino)-acetic acid::CHEMBL2370515

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O

InChI Key: InChIKey=PKKIDZFGRQACGB-QORCZRPOSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50089071   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50089071
PNG
(({1-[2-({1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C30H37N5O7/c31-22(16-20-10-12-21(36)13-11-20)29(41)34-14-5-9-25(34)28(40)33-23(17-19-6-2-1-3-7-19)30(42)35-15-4-8-24(35)27(39)32-18-26(37)38/h1-3,6-7,10-13,22-25,36H,4-5,8-9,14-18,31H2,(H,32,39)(H,33,40)(H,37,38)/t22-,23-,24-,25-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.62E+3n/an/an/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity of Opioid receptor mu 1 by displacing the radioligand [3H]DAMGO from rat brain membrane


Bioorg Med Chem Lett 10: 1185-8 (2000)


BindingDB Entry DOI: 10.7270/Q2S46SG6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50089071
PNG
(({1-[2-({1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C30H37N5O7/c31-22(16-20-10-12-21(36)13-11-20)29(41)34-14-5-9-25(34)28(40)33-23(17-19-6-2-1-3-7-19)30(42)35-15-4-8-24(35)27(39)32-18-26(37)38/h1-3,6-7,10-13,22-25,36H,4-5,8-9,14-18,31H2,(H,32,39)(H,33,40)(H,37,38)/t22-,23-,24-,25-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]DAMGO binding to Opioid receptor mu 1 in rat brain membrane


Bioorg Med Chem Lett 10: 1185-8 (2000)


BindingDB Entry DOI: 10.7270/Q2S46SG6
More data for this
Ligand-Target Pair