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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-8' and Ligand = 'BDBM472699'   
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-V/beta-8


(Homo sapiens (Human))		BDBM472699
PNG
(US10836720, HIJ-1483)
Show SMILES NC(=N)Nc1cc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc(c1)C(=O)NCC(=O)NC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r,TLB:19:20:24:23.17.18,23:22:25:19.17.18,23:18:25:24.22.21,THB:19:18:24:25.20.21|
Show InChI InChI=1S/C39H51N9O9S/c40-38(41)46-28-16-26(15-27(17-28)45-32(49)9-4-10-42-37(55)39-18-23-12-24(19-39)14-25(13-23)20-39)34(51)44-22-33(50)43-21-30(36(53)54)47-35(52)31-8-5-11-48(31)58(56,57)29-6-2-1-3-7-29/h1-3,6-7,15-17,23-25,30-31H,4-5,8-14,18-22H2,(H,42,55)(H,43,50)(H,44,51)(H,45,49)(H,47,52)(H,53,54)(H4,40,41,46)/t23?,24?,25?,30-,31-,39?/m0/s1
PDB

UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of alphavbeta8 integrin (unknown origin) by solid phase binding assay

Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127578
BindingDB Entry DOI: 10.7270/Q25Q50R5
More data for this
Ligand-Target Pair