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BDBM50027511 Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-carbamoyl)-butylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl-ammonium;::CHEMBL2372199

SMILES: CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=JRRHGFZKNYEKNL-MSYXOVRKNA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50027511   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H][D-Ala2,D-Leu5]enkephalin binding to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor delta 1 in the mouse vas deferens assay


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
UniProtKB/SwissProt

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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against Opioid receptor mu 1 in the guinea pig ileum assay


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027511
PNG
(Acetate1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbam...)
Show SMILES CC(O)=O.CCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1/C31H44N6O6.C2H4O2/c1-4-8-24(36-29(41)23(32)16-21-11-13-22(38)14-12-21)30(42)34-18-27(39)35-26(17-20-9-6-5-7-10-20)31(43)37-25(28(33)40)15-19(2)3;1-2(3)4/h5-7,9-14,19,23-26,38H,4,8,15-18,32H2,1-3H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43);1H3,(H,3,4)/t23-,24+,25-,26-;/s2
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H][D-Ala2,D-Leu5]enkephalin to Opioid receptor delta 1 in the rat brain homogenate


J Med Chem 25: 1432-8 (1983)


Article DOI: 10.1021/jm00354a008
BindingDB Entry DOI: 10.7270/Q2HQ40G9
More data for this
Ligand-Target Pair