BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccccc1)ccc3OC

InChI Key: InChIKey=UJYAZFCXZPDWQB-PFQPMKHESA-N

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 = 50463283   
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))
BDBM50463283
PNG
(CHEMBL4243112)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
Show InChI InChI=1S/C32H37NO5/c1-29(38-27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)


Article DOI: 10.1016/j.bmc.2018.07.020
BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50463283
PNG
(CHEMBL4243112)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
Show InChI InChI=1S/C32H37NO5/c1-29(38-27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
74n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)


Article DOI: 10.1016/j.bmc.2018.07.020
BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50463283
PNG
(CHEMBL4243112)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4|
Show InChI InChI=1S/C32H37NO5/c1-29(38-27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis


Bioorg Med Chem 26: 4254-4263 (2018)


Article DOI: 10.1016/j.bmc.2018.07.020
BindingDB Entry DOI: 10.7270/Q28W3GZJ
More data for this
Ligand-Target Pair