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BDBM50189144 (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)-6a,10b-dimethyl-9-(methylamino)-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL215560

SMILES: CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key: InChIKey=CUUMKKLQAZHRPL-VOVNARLJSA-N

Data: 1 KI  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50189144   
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))
BDBM50189144
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
328n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
BindingDB Entry DOI: 10.7270/Q2GX4B55
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50189144
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 2-(furan-3-yl)...)
Show SMILES CN[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C22H29NO6/c1-21-7-5-13-20(26)29-16(12-6-8-28-11-12)10-22(13,2)18(21)17(24)15(23-3)9-14(21)19(25)27-4/h6,8,11,13-16,18,23H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 825n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Enhancement of [35S]GTPgammaS binding to human KOR expressed in CHO cells


Bioorg Med Chem Lett 16: 4679-85 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.093
BindingDB Entry DOI: 10.7270/Q2GX4B55
More data for this
Ligand-Target Pair