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BDBM44586 5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone::5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one::5-[[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one::MLS000079857::SMR000034477::cid_659617

SMILES: CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1

InChI Key: InChIKey=JHRRWFVXXIEDAI-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 44586   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM44586
PNG
(5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazoly...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N5O2S/c1-15(2)30-19-10-8-16(9-11-19)21-17(13-27(26-21)18-6-4-3-5-7-18)12-20-22(29)28-23(31-20)24-14-25-28/h3-15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.43E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44586
PNG
(5-[[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazoly...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19N5O2S/c1-15(2)30-19-10-8-16(9-11-19)21-17(13-27(26-21)18-6-4-3-5-7-18)12-20-22(29)28-23(31-20)24-14-25-28/h3-15H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.40E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair