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BDBM50450655 CHEMBL2114470

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

InChI Key: InChIKey=UBYPEAFMSXTETH-LDTXEAIHSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50450655   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50450655
PNG
(CHEMBL2114470)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27-,33-/m1/s1
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n/an/a 50n/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 receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450655
PNG
(CHEMBL2114470)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27-,33-/m1/s1
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n/an/a 2n/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
Opioid receptor


(Rattus norvegicus (rat))
BDBM50450655
PNG
(CHEMBL2114470)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27-,33-/m1/s1
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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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50450655
PNG
(CHEMBL2114470)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@]1(CCCC[C@H]1O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C33H45N5O8/c1-20(2)16-26(31(44)45)37-30(43)25(18-21-8-4-3-5-9-21)36-28(41)19-35-32(46)33(15-7-6-10-27(33)40)38-29(42)24(34)17-22-11-13-23(39)14-12-22/h3-5,8-9,11-14,20,24-27,39-40H,6-7,10,15-19,34H2,1-2H3,(H,35,46)(H,36,41)(H,37,43)(H,38,42)(H,44,45)/t24-,25-,26-,27-,33-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/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