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BDBM86493 CAS_27943::NALTREXONE-HCl::NSC_27943::Naltrexone

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O

InChI Key: InChIKey=DQCKKXVULJGBQN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 86493   
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))
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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Article
PubMed
0.810n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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PubMed
2.39n/an/an/an/an/an/an/an/a



Purdue Pharma Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 783-92 (2004)


Article DOI: 10.1124/jpet.103.063313
BindingDB Entry DOI: 10.7270/Q2J67FHD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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16.3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor


(MOUSE)
BDBM86493
PNG
(CAS_27943 | NALTREXONE-HCl | NSC_27943 | Naltrexon...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)CCC35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

PubMed
1.00E+3n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Pharmacol Rev 53: 381-415 (2001)


BindingDB Entry DOI: 10.7270/Q2QJ7FWB
More data for this
Ligand-Target Pair