BindingDB logo
myBDB logout

BDBM50135220 CHEMBL3746274

SMILES: [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@@]51C=C[C@@]2(OC)[C@@]2([H])C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@]12[H])ccc3O

InChI Key: InChIKey=WXDLWTYKSQMFDU-HCKJFIJVSA-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 = 50135220   
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))
BDBM50135220
PNG
(CHEMBL3746274)
Show SMILES CO[C@]12C=C[C@@]3([C@H]4[C@@H]1C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C4=O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show InChI InChI=1S/C33H43N3O7/c1-30(2,3)43-29(40)34-15-8-6-7-9-16-36-26(38)23-24(27(36)39)33(41-5)13-12-31(23)21-18-19-10-11-20(37)25-22(19)32(31,28(33)42-25)14-17-35(21)4/h10-13,21,23-24,28,37H,6-9,14-18H2,1-5H3,(H,34,40)/t21-,23+,24-,28-,31+,32+,33-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
263n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in CHO-FlpIn cell membranes after 1 hr by liquid scintillation counting analysis


J Med Chem 58: 9754-67 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01664
BindingDB Entry DOI: 10.7270/Q25M67K5
More data for this
Ligand-Target Pair