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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 = 'BDBM67028'   
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))		BDBM67028
PNG
(MLS002320507 | SMR001338797 | cid_42628598 | okada...)
Show SMILES [H][C@@]12CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]3CC(C)=CC4(O[C@H](C[C@@](C)(O)CO)CCC4O)O3)O[C@@]1([H])C(O)C(=C)[C@H](O2)C(O)CC(C)[C@H]1OC2(CCCCO2)CCC1C |c:17|
Show InChI InChI=1S/C44H70O12/c1-26-21-35(54-44(23-26)36(47)12-11-32(53-44)24-41(6,49)25-45)27(2)9-10-31-14-18-43(52-31)19-15-34-40(56-43)37(48)30(5)39(51-34)33(46)22-29(4)38-28(3)13-17-42(55-38)16-7-8-20-50-42/h9-10,23,27-29,31-40,45-49H,5,7-8,11-22,24-25H2,1-4,6H3/b10-9+/t27?,28?,29?,31-,32-,33?,34+,35-,36?,37?,38-,39-,40+,41+,42?,43+,44?/m0/s1
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Similars
PCBioAssay
n/an/an/an/a 610n/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