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SMILES: O=C(OCn1nnc2ccccc2c1=O)C1CCN(CC1)S(=O)(=O)c1cccs1

InChI Key: InChIKey=OZGNMJOYIURVJU-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 48940   
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))
BDBM48940
PNG
((4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-...)
Show SMILES O=C(OCn1nnc2ccccc2c1=O)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H18N4O5S2/c23-17-14-4-1-2-5-15(14)19-20-22(17)12-27-18(24)13-7-9-21(10-8-13)29(25,26)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.0130n/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))
BDBM48940
PNG
((4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-...)
Show SMILES O=C(OCn1nnc2ccccc2c1=O)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H18N4O5S2/c23-17-14-4-1-2-5-15(14)19-20-22(17)12-27-18(24)13-7-9-21(10-8-13)29(25,26)16-6-3-11-28-16/h1-6,11,13H,7-10,12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.00817n/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