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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4' and Ligand = 'BDBM75437'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Integrin alpha-4


(Homo sapiens (Human))		BDBM75437
PNG
(MLS002320514 | PbTx-1 | SMR000265084 | cid_1674532...)
Show SMILES C[C@H]1CC2O[C@]3(C)C[C@H](C)CC4OC(=O)CC4OC3CC2OC2CC=CCC3OC4CCCC5OC6CC7O[C@H](CC(=C)C=O)C[C@H](O)C7OC6C[C@]5(C)OC4\C=C/CC3OC12 |c:63|
Show InChI InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6?,14-8-/t26-,28+,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,46?,47?,48-,49+/m1/s1
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.15E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZG6QP2
More data for this
Ligand-Target Pair