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SMILES: CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23

InChI Key: InChIKey=VRIULMSJRSWRDW-JBYDNAENSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320086   
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)		BDBM50320086
PNG
((2R,2aR,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
Show InChI InChI=1S/C19H23NO3/c1-20(9-10-2-3-10)13-8-11-4-6-14(21)18-16(11)17-12(13)5-7-15(22)19(17)23-18/h4,6,10,12-13,17,19,21H,2-3,5,7-9H2,1H3/t12-,13+,17-,19-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.36n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Hartley guinea pig forebrain by liquid scintillation counting

Bioorg Med Chem Lett 20: 3726-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.080
BindingDB Entry DOI: 10.7270/Q2KD1Z3B
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))		BDBM50320086
PNG
((2R,2aR,2a1S,5aR)-2-((cyclopropylmethyl)(methyl)am...)
Show SMILES CN(CC1CC1)[C@@H]1Cc2ccc(O)c3O[C@@H]4[C@@H]([C@H]1CCC4=O)c23 |r|
Show InChI InChI=1S/C19H23NO3/c1-20(9-10-2-3-10)13-8-11-4-6-14(21)18-16(11)17-12(13)5-7-15(22)19(17)23-18/h4,6,10,12-13,17,19,21H,2-3,5,7-9H2,1H3/t12-,13+,17-,19-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.81n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69493 from kappa opioid receptor in Hartley guinea pig cerebellum by liquid scintillation counter

Bioorg Med Chem Lett 20: 3726-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.080
BindingDB Entry DOI: 10.7270/Q2KD1Z3B
More data for this
Ligand-Target Pair