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BDBM50416715 CHEMBL1224697

SMILES: CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1

InChI Key: InChIKey=RTBICRVBMOJALC-PXLAXKNCNA-N

Data: 2 KI  1 IC50

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 = 50416715   
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))
BDBM50416715
PNG
(CHEMBL1224697)
Show SMILES CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1/C22H28N2O2S/c1-4-24-14-19-13-22(19,15-24)18-7-9-20(10-8-18)23-27(25,26)21-11-5-17(6-12-21)16(2)3/h5-12,16,19,23H,4,13-15H2,1-3H3/t19-,22+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D3 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50416715
PNG
(CHEMBL1224697)
Show SMILES CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1/C22H28N2O2S/c1-4-24-14-19-13-22(19,15-24)18-7-9-20(10-8-18)23-27(25,26)21-11-5-17(6-12-21)16(2)3/h5-12,16,19,23H,4,13-15H2,1-3H3/t19-,22+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416715
PNG
(CHEMBL1224697)
Show SMILES CCN1C[C@H]2C[C@]2(C1)c1ccc(NS(=O)(=O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1/C22H28N2O2S/c1-4-24-14-19-13-22(19,15-24)18-7-9-20(10-8-18)23-27(25,26)21-11-5-17(6-12-21)16(2)3/h5-12,16,19,23H,4,13-15H2,1-3H3/t19-,22+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5491-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.073
BindingDB Entry DOI: 10.7270/Q2R78GFH
More data for this
Ligand-Target Pair