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BDBM50450654 CHEMBL2115492

SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=NFIKZROQWRUGJB-KMPBPIROSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50450654   
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))
BDBM50450654
PNG
(CHEMBL2115492)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26-,32+/m1/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against forskolin-stimulated cAMP production in chinese hamster ovary cells expressing Opioid receptor delta 1


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450654
PNG
(CHEMBL2115492)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26-,32+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat Opioid receptor delta 1 expressed in CHO cells determined by competitive inhibition of 1 nM [3H]DPDPE.


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50450654
PNG
(CHEMBL2115492)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26-,32+/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat mu-opioid receptor expressed in CHO cells by competitive inhibition of 1 nM [3H]DAMGO


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat))
BDBM50450654
PNG
(CHEMBL2115492)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@]1(CCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C32H43N5O8/c1-19(2)15-25(30(43)44)36-29(42)24(17-20-7-4-3-5-8-20)35-27(40)18-34-31(45)32(14-6-9-26(32)39)37-28(41)23(33)16-21-10-12-22(38)13-11-21/h3-5,7-8,10-13,19,23-26,38-39H,6,9,14-18,33H2,1-2H3,(H,34,45)(H,35,40)(H,36,42)(H,37,41)(H,43,44)/t23-,24-,25-,26-,32+/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Binding affinity against rat kappa-opioid receptor expressed in CHO cells was determined by competitive inhibition of 2 nM [3H]-U 69593


Bioorg Med Chem Lett 8: 2027-32 (1999)


Article DOI: 10.1016/s0960-894x(98)00349-7
BindingDB Entry DOI: 10.7270/Q25T3KZ5
More data for this
Ligand-Target Pair