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BDBM31364 (1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [1-[5-(4-nitro-phenyl)-furan-2-yl]-meth-(E)-ylidene]-hydrazide::(1S,2S)-N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-2-phenyl-1-cyclopropanecarboxamide::(1S,2S)-N-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]-2-phenyl-cyclopropanecarboxamide::(1S,2S)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenyl-cyclopropane-1-carboxamide::(1S,2S)-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide::MLS000332051::SMR000221450::cid_16189645

SMILES: [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)C2CC2c2ccccc2)o1

InChI Key: InChIKey=UGOFNVAWWWTSKR-LPYMAVHISA-N

Data: 2 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 2 hits for monomerid = 31364   
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 3


(Homo sapiens (human))
BDBM31364
PNG
((1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [1-[5...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)C2CC2c2ccccc2)o1
Show InChI InChI=1S/C21H17N3O4/c25-21(19-12-18(19)14-4-2-1-3-5-14)23-22-13-17-10-11-20(28-17)15-6-8-16(9-7-15)24(26)27/h1-11,13,18-19H,12H2,(H,23,25)/b22-13+
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.03E+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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q228061X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31364
PNG
((1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [1-[5...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)C2CC2c2ccccc2)o1
Show InChI InChI=1S/C21H17N3O4/c25-21(19-12-18(19)14-4-2-1-3-5-14)23-22-13-17-10-11-20(28-17)15-6-8-16(9-7-15)24(26)27/h1-11,13,18-19H,12H2,(H,23,25)/b22-13+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.96E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 flasks at 37 degrees C and 95% relative humidity (RH). The growth media consisted of Dulbecco's Modified ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FQ9TZS
More data for this
Ligand-Target Pair