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BDBM48991 4-N-tert-butyl-2-N,6-N-diethyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine::MLS000077065::N-tert-Butyl-N',N''-diethyl-N'-[1,2,4]triazol-4-yl-[1,3,5]triazine-2,4,6-triamine::N4-tert-butyl-N2,N6-diethyl-N2-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine::SMR000008540::[4-(tert-butylamino)-6-(ethylamino)-s-triazin-2-yl]-ethyl-(1,2,4-triazol-4-yl)amine::cid_650820

SMILES: CCNc1nc(NC(C)(C)C)nc(n1)N(CC)n1cnnc1

InChI Key: InChIKey=IVICYBOWSBXURO-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 48991   
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))
BDBM48991
PNG
(4-N-tert-butyl-2-N,6-N-diethyl-2-N-(1,2,4-triazol-...)
Show SMILES CCNc1nc(NC(C)(C)C)nc(n1)N(CC)n1cnnc1
Show InChI InChI=1S/C13H23N9/c1-6-14-10-17-11(20-13(3,4)5)19-12(18-10)22(7-2)21-8-15-16-9-21/h8-9H,6-7H2,1-5H3,(H2,14,17,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 0.0134n/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