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BDBM50045216 7-(Spiroindano)Oxymorphone::7-spiroindanyloxymorphone::SIOM

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O

InChI Key: InChIKey=YJWDKWRVFJZBCJ-OVKCVFHGSA-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 = 50045216   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045216
PNG
(7-(Spiroindano)Oxymorphone | 7-spiroindanyloxymorp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:26:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045216
PNG
(7-(Spiroindano)Oxymorphone | 7-spiroindanyloxymorp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:26:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
PDB

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Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045216
PNG
(7-(Spiroindano)Oxymorphone | 7-spiroindanyloxymorp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)CC1(Cc2ccccc2C1)C4=O)ccc5O |TLB:26:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair