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BDBM50217169 CHEMBL279925

SMILES: Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

InChI Key: InChIKey=OXRRNHYMIXLDFY-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50217169   
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))
BDBM50217169
PNG
(CHEMBL279925)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C30H29F3N4O5S/c1-20-35-36-29(41-20)25-10-6-22(7-11-25)21-4-8-24(9-5-21)28(38)34-15-2-3-16-37-17-14-23-12-13-27(18-26(23)19-37)42-43(39,40)30(31,32)33/h4-13,18H,2-3,14-17,19H2,1H3,(H,34,38)
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UniProtKB/SwissProt

DrugBank
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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))
BDBM50217169
PNG
(CHEMBL279925)
Show SMILES Cc1nnc(o1)-c1ccc(cc1)-c1ccc(cc1)C(=O)NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1
Show InChI InChI=1S/C30H29F3N4O5S/c1-20-35-36-29(41-20)25-10-6-22(7-11-25)21-4-8-24(9-5-21)28(38)34-15-2-3-16-37-17-14-23-12-13-27(18-26(23)19-37)42-43(39,40)30(31,32)33/h4-13,18H,2-3,14-17,19H2,1H3,(H,34,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/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