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BDBM86663 CAS_0::HS595::NSC_0

SMILES: COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1

InChI Key: InChIKey=CABDZSOTHBJAFC-JWSCGMNOSA-N

Data: 1 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 1 hit for monomerid = 86663   
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))
BDBM86663
PNG
(CAS_0 | HS595 | NSC_0)
Show SMILES COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1 |r,TLB:30:29:21.20.25:17,3:25:17:29.28.27,THB:18:17:21.20.25:29.28.27|
Show InChI InChI=1S/C28H29NO5/c1-26-25-18(17-5-3-4-6-20(17)33-25)13-28(31)21-12-16-11-19(30)23(32-2)24(34-26)22(16)27(26,28)9-10-29(21)14-15-7-8-15/h3-6,11,15,21,30-31H,7-10,12-14H2,1-2H3/t21?,26-,27?,28+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.220n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair