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BDBM86924 17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha-epoxy-6-beta-[(4'-carboxy)benzamido]morphinan::CAS_24822801::NSC_24822801

SMILES: OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45

InChI Key: InChIKey=ZXYVSSPBAVCSEA-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 = 86924   
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))
BDBM86924
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H30N2O6/c31-20-8-7-18-13-21-28(35)10-9-19(29-25(32)16-3-5-17(6-4-16)26(33)34)24-27(28,22(18)23(20)36-24)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,35H,1-2,9-14H2,(H,29,32)(H,33,34)
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Similars

Article
PubMed
10.1n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM86924
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H30N2O6/c31-20-8-7-18-13-21-28(35)10-9-19(29-25(32)16-3-5-17(6-4-16)26(33)34)24-27(28,22(18)23(20)36-24)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,35H,1-2,9-14H2,(H,29,32)(H,33,34)
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Article
PubMed
79.2n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM86924
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)NC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c45
Show InChI InChI=1S/C28H30N2O6/c31-20-8-7-18-13-21-28(35)10-9-19(29-25(32)16-3-5-17(6-4-16)26(33)34)24-27(28,22(18)23(20)36-24)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,35H,1-2,9-14H2,(H,29,32)(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)

More data for this
Ligand-Target Pair