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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-5/beta-1' and Ligand = 'BDBM50519007'   
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-5/beta-1


(Homo sapiens (Human))		BDBM50519007
PNG
(CHEMBL4447194)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)c2ccc(cc2)-c2ccc3c(C[C@@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O)C(N)=O)c[nH]c3c2 |r|
Show InChI InChI=1S/C39H44N10O8/c40-34(53)29-17-25-19-44-28-16-24(12-13-26(25)28)22-8-10-23(11-9-22)35(54)47-27(7-4-14-43-39(41)42)36(55)45-20-32(50)46-31(18-33(51)52)38(57)49-30(37(56)48-29)15-21-5-2-1-3-6-21/h1-3,5-6,8-13,16,19,27,29-31,44H,4,7,14-15,17-18,20H2,(H2,40,53)(H,45,55)(H,46,50)(H,47,54)(H,48,56)(H,49,57)(H,51,52)(H4,41,42,43)/t27-,29+,30-,31-/m0/s1
PDB

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bielefeld University

Curated by ChEMBL


Assay Description
Inhibition of human fibronectin binding to human integrin alpha5beta1 incubated for 1 hr by ELISA

J Med Chem 62: 7417-7430 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00360
BindingDB Entry DOI: 10.7270/Q2JQ14D7
More data for this
Ligand-Target Pair