new BindingDB logo
myBDB logout

BDBM50398951 CHEMBL2179258

SMILES: COC(=O)\C=C\C(=O)O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O

InChI Key: InChIKey=JILUINOXHPIHFM-RDYFDFNXSA-N

Data: 2 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 2 hits for monomerid = 50398951   
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


(GUINEA PIG)
BDBM50398951
PNG
(CHEMBL2179258)
Show SMILES COC(=O)\C=C\C(=O)O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H27NO7/c1-31-19(29)6-7-20(30)33-25-9-8-17(28)23-24(25)10-11-26(13-14-2-3-14)18(25)12-15-4-5-16(27)22(32-23)21(15)24/h4-7,14,18,23,27H,2-3,8-13H2,1H3/b7-6+/t18-,23+,24+,25-/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398951
PNG
(CHEMBL2179258)
Show SMILES COC(=O)\C=C\C(=O)O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H27NO7/c1-31-19(29)6-7-20(30)33-25-9-8-17(28)23-24(25)10-11-26(13-14-2-3-14)18(25)12-15-4-5-16(27)22(32-23)21(15)24/h4-7,14,18,23,27H,2-3,8-13H2,1H3/b7-6+/t18-,23+,24+,25-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair