new BindingDB logo
myBDB logout

BDBM50106354 CHEMBL3596372

SMILES: Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O

InChI Key: InChIKey=FBQJOEBDBGIZOL-KYHCHSCSNA-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 = 50106354   
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))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
38n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50106354
PNG
(CHEMBL3596372)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16|
Show InChI InChI=1/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18-,22+,23+,24-;/s2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cells


Bioorg Med Chem Lett 25: 2927-30 (2015)


BindingDB Entry DOI: 10.7270/Q28C9Z0W
More data for this
Ligand-Target Pair