BindingDB logo
myBDB logout

BDBM32261 MLS000081169::N,N-diethyl-4-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline::N,N-diethyl-4-[3-(3-pyridinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline::SMR000043558::cid_662880::diethyl-[4-[3-(3-pyridyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]amine

SMILES: CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1

InChI Key: InChIKey=OSWNMRLFEDXYOC-UHFFFAOYSA-N

Data: 2 EC50

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 = 32261   
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
BCL-W


(Homo sapiens (Human))
BDBM32261
PNG
(MLS000081169 | N,N-diethyl-4-(3-pyridin-3-yl-[1,2,...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C18H18N6S/c1-3-23(4-2)15-9-7-13(8-10-15)17-22-24-16(20-21-18(24)25-17)14-6-5-11-19-12-14/h5-12H,3-4H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 1.20E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2BR8QM3
More data for this
Ligand-Target Pair
Isoform Bcl-X(L)


(Homo sapiens (Human))
BDBM32261
PNG
(MLS000081169 | N,N-diethyl-4-(3-pyridin-3-yl-[1,2,...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C18H18N6S/c1-3-23(4-2)15-9-7-13(8-10-15)17-22-24-16(20-21-18(24)25-17)14-6-5-11-19-12-14/h5-12H,3-4H2,1-2H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

PCBioAssay
n/an/an/an/a 7.92E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K935WV
More data for this
Ligand-Target Pair