BindingDB logo
myBDB logout

null

SMILES: C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O

InChI Key: InChIKey=CDSURSMPIIMELV-DQMVDXCWSA-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 = 50261175   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
580n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50261175
PNG
(CHEMBL494613 | rac-(cis)-3-Cyclopropylmethyl-6,11-...)
Show SMILES C[C@H]1C2Cc3cc(c(O)cc3[C@@]1(C)CCN2CC1CC1)[N+]([O-])=O |r,TLB:9:10:1:15.13.14,16:15:1:4.10.3|
Show InChI InChI=1S/C18H24N2O3/c1-11-15-7-13-8-16(20(22)23)17(21)9-14(13)18(11,2)5-6-19(15)10-12-3-4-12/h8-9,11-12,15,21H,3-7,10H2,1-2H3/t11-,15?,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair