BindingDB logo
myBDB logout

null

SMILES: CSC1=Nc2sc3COC(C)(C)Cc3c2C(NCCCO)N1

InChI Key: InChIKey=PEOVEFUTTKNYHF-UHFFFAOYSA-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 = 48922   
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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM48922
PNG
(3-[(6,6-dimethyl-2-methylsulfanyl-1,4,5,8-tetrahyd...)
Show SMILES CSC1=Nc2sc3COC(C)(C)Cc3c2C(NCCCO)N1 |t:2|
Show InChI InChI=1S/C15H23N3O2S2/c1-15(2)7-9-10(8-20-15)22-13-11(9)12(16-5-4-6-19)17-14(18-13)21-3/h12,16,19H,4-8H2,1-3H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.00522n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H41PVH
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM48922
PNG
(3-[(6,6-dimethyl-2-methylsulfanyl-1,4,5,8-tetrahyd...)
Show SMILES CSC1=Nc2sc3COC(C)(C)Cc3c2C(NCCCO)N1 |t:2|
Show InChI InChI=1S/C15H23N3O2S2/c1-15(2)7-9-10(8-20-15)22-13-11(9)12(16-5-4-6-19)17-14(18-13)21-3/h12,16,19H,4-8H2,1-3H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.00394n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MW2FJG
More data for this
Ligand-Target Pair