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BDBM50451126 CHEMBL2114977

SMILES: COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O

InChI Key: InChIKey=CGEAURAKLLDRQE-UIOOFZCWSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50451126   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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PubMed
n/an/a 5.80n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II


Bioorg Med Chem Lett 10: 167-70 (2000)


Article DOI: 10.1016/s0960-894x(99)00652-6
BindingDB Entry DOI: 10.7270/Q2RV0MXM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824


Bioorg Med Chem Lett 10: 167-70 (2000)


Article DOI: 10.1016/s0960-894x(99)00652-6
BindingDB Entry DOI: 10.7270/Q2RV0MXM
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50451126
PNG
(CHEMBL2114977)
Show SMILES COc1ccc(cc1)-c1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c1-16-10-22(31)11-17(2)24(16)14-25(29)27(32)30-15-21-12-19(18-6-8-23(35-3)9-7-18)4-5-20(21)13-26(30)28(33)34/h4-12,25-26,31H,13-15,29H2,1-3H3,(H,33,34)/t25-,26-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)


Article DOI: 10.1016/s0960-894x(99)00652-6
BindingDB Entry DOI: 10.7270/Q2RV0MXM
More data for this
Ligand-Target Pair