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SMILES: CCOC(=O)N1CCN(Cc2nc(no2)-c2ccc(C)cc2)CC1

InChI Key: InChIKey=SNDJOPGWQLFXKK-UHFFFAOYSA-N

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 = 114654   
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
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114654
PNG
(4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl...)
Show SMILES CCOC(=O)N1CCN(Cc2nc(no2)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C17H22N4O3/c1-3-23-17(22)21-10-8-20(9-11-21)12-15-18-16(19-24-15)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.78E+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 (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Fibrinogen beta chain [164-491]


(Homo sapiens (Human))
BDBM114654
PNG
(4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl...)
Show SMILES CCOC(=O)N1CCN(Cc2nc(no2)-c2ccc(C)cc2)CC1
Show InChI InChI=1S/C17H22N4O3/c1-3-23-17(22)21-10-8-20(9-11-21)12-15-18-16(19-24-15)14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.33E+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 (SRIMSC) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair