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BDBM79611 3-bromo-1-adamantanecarboxylic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester::3-bromoadamantane-1-carboxylic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester::VU0424146-1::[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-bromoadamantane-1-carboxylate::[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate::cid_5146117

SMILES: [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=FEMXJJBZLPNQOP-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79611   
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)		BDBM79611
PNG
(3-bromo-1-adamantanecarboxylic acid [2-[3-(4-morph...)
Show SMILES [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
Show InChI InChI=1S/C23H29BrN2O6S/c24-23-12-16-8-17(13-23)11-22(10-16,15-23)21(28)32-14-20(27)25-18-2-1-3-19(9-18)33(29,30)26-4-6-31-7-5-26/h1-3,9,16-17H,4-8,10-15H2,(H,25,27)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.21E+3n/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