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BDBM43625 1-(2-fluorophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carboline::1-[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-beta-carbolin-2-yl]-2-(4-methylfurazan-3-yl)ethanone::1-[1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone::MLS000733583::SMR000318043::cid_16187888

SMILES: Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F

InChI Key: InChIKey=NCPZHRSKFKCQBT-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 = 43625   
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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43625
PNG
(1-(2-fluorophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-...)
Show SMILES Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F
Show InChI InChI=1S/C22H19FN4O2/c1-13-19(26-29-25-13)12-20(28)27-11-10-15-14-6-3-5-9-18(14)24-21(15)22(27)16-7-2-4-8-17(16)23/h2-9,22,24H,10-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.57E+4n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HM56V2
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM43625
PNG
(1-(2-fluorophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-...)
Show SMILES Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F
Show InChI InChI=1S/C22H19FN4O2/c1-13-19(26-29-25-13)12-20(28)27-11-10-15-14-6-3-5-9-18(14)24-21(15)22(27)16-7-2-4-8-17(16)23/h2-9,22,24H,10-12H2,1H3
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>2.06E+3n/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 Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair