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BDBM50123763 (E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethylcarbamoyl)-2,6-dihydroxy-1-(4-hydroxy-2,6-dimethyl-benzyl)-8-phenyl-oct-4-enyl-ammonium

SMILES: Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=MWAQTMFPZSUQRQ-ZJQIPYTLSA-O

Data: 3 KI

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 = 50123763   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Opioid receptor mu 1 expressing CHO cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of 3H-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellum preparation


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50123763
PNG
((E)-(1S,2S,6S,7R)-7-((S)-1-Carbamoyl-2-phenyl-ethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C33H41N3O5/c1-21-16-25(37)17-22(2)26(21)20-28(34)31(39)15-9-14-30(38)27(18-23-10-5-3-6-11-23)33(41)36-29(32(35)40)19-24-12-7-4-8-13-24/h3-14,16-17,27-31,37-39H,15,18-20,34H2,1-2H3,(H2,35,40)(H,36,41)/p+1/b14-9+/t27-,28+,29+,30+,31+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
40n/an/an/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human Opioid receptor delta 1 epressing HEK293 cells


J Med Chem 46: 677-80 (2003)


Article DOI: 10.1021/jm025608s
BindingDB Entry DOI: 10.7270/Q2959J96
More data for this
Ligand-Target Pair