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BDBM40531 5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine::MLS000114955::SMR000092227::[5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amine::cid_5308406

SMILES: COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1

InChI Key: InChIKey=JITIYKVPTGBVMR-UHFFFAOYNA-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 = 40531   
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
Kallikrein 5


(Homo sapiens (Human))
BDBM40531
PNG
(5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tet...)
Show SMILES COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
Show InChI InChI=1/C18H18FN5O/c1-25-14-4-2-3-12(9-14)16-10-15(11-5-7-13(19)8-6-11)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM40531
PNG
(5-(4-fluorophenyl)-7-(3-methoxyphenyl)-1,5,6,7-tet...)
Show SMILES COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
Show InChI InChI=1/C18H18FN5O/c1-25-14-4-2-3-12(9-14)16-10-15(11-5-7-13(19)8-6-11)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.71E+3n/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: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2F47MJ9
More data for this
Ligand-Target Pair