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BDBM79607 1-[3-[(3,4-difluoroanilino)-oxomethyl]-4-fluorophenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester::1-[3-[(3,4-difluorophenyl)carbamoyl]-4-fluoro-phenyl]sulfonylnipecotic acid ethyl ester::VU0424123-1::cid_9551043::ethyl 1-[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylpiperidine-3-carboxylate::ethyl 1-[3-[[3,4-bis(fluoranyl)phenyl]carbamoyl]-4-fluoranyl-phenyl]sulfonylpiperidine-3-carboxylate

SMILES: CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1

InChI Key: InChIKey=XDASKVNQUSJGAR-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79607   
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
integrin alpha-L


(Mus musculus)		BDBM79607
PNG
(1-[3-[(3,4-difluoroanilino)-oxomethyl]-4-fluorophe...)
Show SMILES CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C21H21F3N2O5S/c1-2-31-21(28)13-4-3-9-26(12-13)32(29,30)15-6-8-17(22)16(11-15)20(27)25-14-5-7-18(23)19(24)10-14/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.93E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2XW4H88
More data for this
Ligand-Target Pair