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BDBM50451123 CHEMBL2114980

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1

InChI Key: InChIKey=FMZZUYRGAFKBEJ-DQEYMECFSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50451123   
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))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
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Article
PubMed
n/an/a 13n/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))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
PDB

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Article
PubMed
n/an/a 635n/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))
BDBM50451123
PNG
(CHEMBL2114980)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/m0/s1
PDB

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PC cid
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UniChem

Similars

Article
PubMed
n/an/a 5.74E+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 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