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SMILES: Clc1cc(\C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1

InChI Key: InChIKey=SCGRNQVEDWXYOS-VULFUBBASA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 76255   
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-4


(Homo sapiens (Human))		BDBM76255
PNG
(N-[(E)-[3-chloranyl-4-(2-oxidanylidene-2-phenylaza...)
Show SMILES Clc1cc(\C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C24H18ClN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)/b26-14+
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PC cid
PC sid
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Similars
PCBioAssay
n/an/an/an/a 2.34E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24X5684
More data for this
Ligand-Target Pair