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BDBM50217172 CHEMBL52724

SMILES: CNC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

InChI Key: InChIKey=OYCWFOLWJZRICL-UHFFFAOYSA-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 = 50217172   
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))
BDBM50217172
PNG
(CHEMBL52724)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C29H30F3N3O5S/c1-33-27(36)24-6-4-5-23(17-24)20-7-9-22(10-8-20)28(37)34-14-2-3-15-35-16-13-21-11-12-26(18-25(21)19-35)40-41(38,39)29(30,31)32/h4-12,17-18H,2-3,13-16,19H2,1H3,(H,33,36)(H,34,37)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/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))
BDBM50217172
PNG
(CHEMBL52724)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C29H30F3N3O5S/c1-33-27(36)24-6-4-5-23(17-24)20-7-9-22(10-8-20)28(37)34-14-2-3-15-35-16-13-21-11-12-26(18-25(21)19-35)40-41(38,39)29(30,31)32/h4-12,17-18H,2-3,13-16,19H2,1H3,(H,33,36)(H,34,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
126n/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