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BDBM50358172 CHEMBL1921848

SMILES: Cc1cc(C)cc(c1)[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1

InChI Key: InChIKey=ZHPMYDSXGRRERG-XMMPIXPASA-N

Data: 3 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 3 hits for monomerid = 50358172   
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))
BDBM50358172
PNG
(CHEMBL1921848)
Show SMILES Cc1cc(C)cc(c1)[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 |r|
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m1/s1
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50358172
PNG
(CHEMBL1921848)
Show SMILES Cc1cc(C)cc(c1)[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 |r|
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m1/s1
PDB

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PC sid
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Article
PubMed
101n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50358172
PNG
(CHEMBL1921848)
Show SMILES Cc1cc(C)cc(c1)[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 |r|
Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m1/s1
PDB

Reactome pathway
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
165n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation counting


J Med Chem 54: 8000-12 (2011)


Article DOI: 10.1021/jm200789r
BindingDB Entry DOI: 10.7270/Q29C6XVV
More data for this
Ligand-Target Pair