BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM16909'   
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/beta-1 [T112H]


(Homo sapiens (Human))		BDBM16909
PNG
((3S)-3-{[(2S,3S)-1-[(2S)-2-carbamoylpyrrolidin-1-y...)
Show SMILES CCCC[C@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
Show InChI InChI=1S/C40H51N7O9/c1-5-7-12-28(36(51)44-29(22-33(48)49)37(52)46-34(23(3)6-2)39(54)47-21-10-14-30(47)35(41)50)43-38(53)32-20-19-31(56-32)25-15-17-26(18-16-25)42-40(55)45-27-13-9-8-11-24(27)4/h8-9,11,13,15-20,23,28-30,34H,5-7,10,12,14,21-22H2,1-4H3,(H2,41,50)(H,43,53)(H,44,51)(H,46,52)(H,48,49)(H2,42,45,55)/t23?,28-,29-,30-,34-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



University of California Davis



Assay Description
Binding affinities (IC50) of the ligands were studied in a Jurkat cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS-1...

Biopolymers 84: 595-604 (2006)


Article DOI: 10.1002/bip.20588
BindingDB Entry DOI: 10.7270/Q2PR7T74
More data for this
Ligand-Target Pair