BindingDB logo
myBDB logout

null

SMILES: [H][C@]12CCc3c(OC)cccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=XXNSAFMKWRWIBC-YTMVLYRLSA-N

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 2 hits for monomerid = 50216339   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50216339
PNG
(CHEMBL2111591)
Show SMILES [H][C@]12CCc3c(OC)cccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c1-35-30-13-7-11-26-27-12-8-22-33(29(27)19-18-28(26)30)21-6-5-20-32-31(34)25-16-14-24(15-17-25)23-9-3-2-4-10-23/h2-4,7,9-11,13-17,27,29H,5-6,8,12,18-22H2,1H3,(H,32,34)/t27-,29-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.90n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D3 expressed in CHO cells by [125I]iodosulpiride displacement.


Bioorg Med Chem Lett 8: 2859-64 (1998)


BindingDB Entry DOI: 10.7270/Q2319Z1B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50216339
PNG
(CHEMBL2111591)
Show SMILES [H][C@]12CCc3c(OC)cccc3[C@]1([H])CCCN2CCCCNC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c1-35-30-13-7-11-26-27-12-8-22-33(29(27)19-18-28(26)30)21-6-5-20-32-31(34)25-16-14-24(15-17-25)23-9-3-2-4-10-23/h2-4,7,9-11,13-17,27,29H,5-6,8,12,18-22H2,1H3,(H,32,34)/t27-,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
501n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 expressed in CHO cells by [125I]iodosulpiride displacement.


Bioorg Med Chem Lett 8: 2859-64 (1998)


BindingDB Entry DOI: 10.7270/Q2319Z1B
More data for this
Ligand-Target Pair