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SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C\C(O)=O)ccc3O

InChI Key: InChIKey=CETFNDSJPGPDOR-JMTSWCSOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50228331   
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/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50228331
PNG
(CHEMBL2112083)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]5(O)CCC2NC(=O)\C=C\C(O)=O)ccc3O |THB:10:9:14:4.5.6|
Show InChI InChI=1S/C21H24N2O6/c1-23-9-8-20-17-11-2-3-13(24)18(17)29-19(20)12(22-15(25)4-5-16(26)27)6-7-21(20,28)14(23)10-11/h2-5,12,14,19,24,28H,6-10H2,1H3,(H,22,25)(H,26,27)/b5-4+/t12?,14-,19+,20+,21-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2068-71 (1989)


BindingDB Entry DOI: 10.7270/Q2N30067
More data for this
Ligand-Target Pair