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BDBM50204457 CHEMBL241823::MCL-431

SMILES: CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1

InChI Key: InChIKey=ZNJDUQHDGFWNKK-UHFFFAOYSA-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 = 50204457   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204457
PNG
(CHEMBL241823 | MCL-431)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1
Show InChI InChI=1S/C20H28N2O2/c1-3-21-19(23)24-15-8-7-14-12-18-16-6-4-5-9-20(16,17(14)13-15)10-11-22(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204457
PNG
(CHEMBL241823 | MCL-431)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1
Show InChI InChI=1S/C20H28N2O2/c1-3-21-19(23)24-15-8-7-14-12-18-16-6-4-5-9-20(16,17(14)13-15)10-11-22(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50204457
PNG
(CHEMBL241823 | MCL-431)
Show SMILES CCNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3C)c2c1
Show InChI InChI=1S/C20H28N2O2/c1-3-21-19(23)24-15-8-7-14-12-18-16-6-4-5-9-20(16,17(14)13-15)10-11-22(18)2/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
78n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair