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BDBM79615 1-(2-methylbenzoyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide::1-(2-methylphenyl)carbonyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide::1-[(2-methylphenyl)-oxomethyl]-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide::N-(4-methyl-3-piperidinosulfonyl-phenyl)-1-o-toluoyl-isonipecotamide::VU0424160-1::cid_16277168

SMILES: Cc1ccccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=ANYLDPWDZZHAPV-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79615   
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)
BDBM79615
PNG
(1-(2-methylbenzoyl)-N-(4-methyl-3-piperidin-1-ylsu...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C26H33N3O4S/c1-19-8-4-5-9-23(19)26(31)28-16-12-21(13-17-28)25(30)27-22-11-10-20(2)24(18-22)34(32,33)29-14-6-3-7-15-29/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,27,30)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.91E+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