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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 = 'BDBM50545181'   
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))		BDBM50545181
PNG
(CHEMBL4633117)
Show SMILES OC(=O)C(F)(F)F.CC1(C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O |r|
Show InChI InChI=1S/C25H36N8O7.C2HF3O2/c1-25(2)23(40)32-15(9-6-10-28-24(26)27)20(37)29-13-18(34)30-17(12-19(35)36)21(38)31-16(22(39)33-25)11-14-7-4-3-5-8-14;3-2(4,5)1(6)7/h3-5,7-8,15-17H,6,9-13H2,1-2H3,(H,29,37)(H,30,34)(H,31,38)(H,32,40)(H,33,39)(H,35,36)(H4,26,27,28);(H,6,7)/t15-,16+,17-;/m0./s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL)

Curated by ChEMBL


Assay Description
Inhibition of fibronectin binding to recombinant human integrin alpha5 (Phe42 to Tyr995 residues) beta1 (Gln21 to Asp728 residues) expressed in CHO c...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127039
BindingDB Entry DOI: 10.7270/Q2RJ4P16
More data for this
Ligand-Target Pair