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SMILES: O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2OCOc2c1

InChI Key: InChIKey=ZFTMKMNHQIUEIQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 41423   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM41423
PNG
(MLS000067975 | N-(1,3-benzodioxol-5-yl)-2-(1-benzy...)
Show SMILES O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H15N5O3S/c23-16(18-13-6-7-14-15(8-13)25-11-24-14)10-26-17-19-20-21-22(17)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,23)
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair