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BDBM100260 MLS002701991::N-[(E)-[3-methyl-5-(trifluoromethyl)-4-pyrazolylidene]amino]-4-morpholinamine::N-[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]morpholin-4-amine::SMR001565568::[(E)-[3-methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine::cid_45280985

SMILES: Cc1[nH]nc(c1N=NN1CCOCC1)C(F)(F)F

InChI Key: InChIKey=ZCMKKFLZOGVHPV-UHFFFAOYSA-N

Data: 2 IC50

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 = 100260   
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
Tegument protein VP16


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM100260
PNG
(MLS002701991 | N-[(E)-[3-methyl-5-(trifluoromethyl...)
Show SMILES Cc1[nH]nc(c1N=NN1CCOCC1)C(F)(F)F |w:7.8|
Show InChI InChI=1S/C9H12F3N5O/c1-6-7(8(15-13-6)9(10,11)12)14-16-17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,15)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2


(Homo sapiens (Human))
BDBM100260
PNG
(MLS002701991 | N-[(E)-[3-methyl-5-(trifluoromethyl...)
Show SMILES Cc1[nH]nc(c1N=NN1CCOCC1)C(F)(F)F |w:7.8|
Show InChI InChI=1S/C9H12F3N5O/c1-6-7(8(15-13-6)9(10,11)12)14-16-17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair