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SMILES: Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1

InChI Key: InChIKey=RBTSZBUESSRYSB-GDLZYMKVSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50060897   
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


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1S/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/m1/s1
PDB

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KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human Mu opioid receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50060897
PNG
(CHEMBL3394754)
Show SMILES Cc1cccc(SC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)c1 |r|
Show InChI InChI=1S/C32H44FN3O2S/c1-25-8-7-11-30(20-25)39-23-29(37)22-35-24-36(28-14-12-27(33)13-15-28)32(31(35)38)16-18-34(19-17-32)21-26-9-5-3-2-4-6-10-26/h7-8,11-15,20,26,29,37H,2-6,9-10,16-19,21-24H2,1H3/t29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



West Chester University

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr14-nociceptin from human ORL1 expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 25: 602-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.015
BindingDB Entry DOI: 10.7270/Q23B61S0
More data for this
Ligand-Target Pair