BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14C5(O)CC(C)C2=O)ccc3O

InChI Key: InChIKey=YSOGVALWKIZBQN-BZDBOOMWSA-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 = 50002076   
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


(Rattus norvegicus (rat))
BDBM50002076
PNG
(CHEMBL195316)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14C5(O)CC(C)C2=O)ccc3O |TLB:9:8:16:4.5.6,THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C21H25NO4/c1-11-9-21(25)15-8-13-4-5-14(23)18-16(13)20(21,19(26-18)17(11)24)6-7-22(15)10-12-2-3-12/h4-5,11-12,15,19,23,25H,2-3,6-10H2,1H3/t11?,15?,19-,20?,21?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50002076
PNG
(CHEMBL195316)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14C5(O)CC(C)C2=O)ccc3O |TLB:9:8:16:4.5.6,THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C21H25NO4/c1-11-9-21(25)15-8-13-4-5-14(23)18-16(13)20(21,19(26-18)17(11)24)6-7-22(15)10-12-2-3-12/h4-5,11-12,15,19,23,25H,2-3,6-10H2,1H3/t11?,15?,19-,20?,21?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002076
PNG
(CHEMBL195316)
Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14C5(O)CC(C)C2=O)ccc3O |TLB:9:8:16:4.5.6,THB:3:4:16:8.14.13,17:16:4.5.6:8.14.13|
Show InChI InChI=1S/C21H25NO4/c1-11-9-21(25)15-8-13-4-5-14(23)18-16(13)20(21,19(26-18)17(11)24)6-7-22(15)10-12-2-3-12/h4-5,11-12,15,19,23,25H,2-3,6-10H2,1H3/t11?,15?,19-,20?,21?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair