BindingDB logo
myBDB logout

BDBM62222 2-(4-bromobenzylidene)malonic acid diethyl ester::2-[(4-bromophenyl)methylidene]propanedioic acid diethyl ester::SR-01000076616::SR-01000076616-3::cid_367432::diethyl 2-[(4-bromophenyl)methylidene]propanedioate

SMILES: [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(Br)cc1)\[#6](=O)-[#8]-[#6]-[#6]

InChI Key: InChIKey=AFYSUDAWCPZFEQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 62222   
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
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))		BDBM62222
PNG
(2-(4-bromobenzylidene)malonic acid diethyl ester |...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(Br)cc1)\[#6](=O)-[#8]-[#6]-[#6]
Show InChI InChI=1S/C14H15BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 887n/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair