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BDBM50217156 CHEMBL52466

SMILES: Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1

InChI Key: InChIKey=SJAPPPAALBAIBC-RUDMXATFSA-N

Data: 2 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 2 hits for monomerid = 50217156   
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
Dopamine receptor


(Homo sapiens (Human))
BDBM50217156
PNG
(CHEMBL52466)
Show SMILES Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1
Show InChI InChI=1S/C26H26F3N3O5S/c27-26(28,29)38(35,36)37-22-7-5-19-11-14-32(17-21(19)16-22)13-2-1-12-30-24(33)9-4-18-3-8-23-20(15-18)6-10-25(34)31-23/h3-10,15-16H,1-2,11-14,17H2,(H,30,33)(H,31,34)/b9-4+
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells


Bioorg Med Chem Lett 9: 179-84 (1999)


Article DOI: 10.1016/s0960-894x(98)00699-4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50217156
PNG
(CHEMBL52466)
Show SMILES Oc1ccc2cc(\C=C\C(=O)NCCCCN3CCc4ccc(OS(=O)(=O)C(F)(F)F)cc4C3)ccc2n1
Show InChI InChI=1S/C26H26F3N3O5S/c27-26(28,29)38(35,36)37-22-7-5-19-11-14-32(17-21(19)16-22)13-2-1-12-30-24(33)9-4-18-3-8-23-20(15-18)6-10-25(34)31-23/h3-10,15-16H,1-2,11-14,17H2,(H,30,33)(H,31,34)/b9-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
158n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 9: 179-84 (1999)


Article DOI: 10.1016/s0960-894x(98)00699-4
More data for this
Ligand-Target Pair