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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50390491   
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-3


(Homo sapiens (Human))		BDBM50390491
PNG
(CHEMBL2071604)
Show SMILES [#6]C1([#6])\[#6](=[#6]/[#6]=[#6]/[#6]=[#6]-[#6]=[#6]-[#6]2=[#7+](-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3-[#7]-[#6](=O)-[#6@@H](-[#6]-c4ccccc4)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-3=O)-c3ccc4ccccc4c3C2([#6])[#6])-[#7](-[#6]-[#6]-[#6](-[#8])=O)-c2ccc3ccccc3c12 |r,w:7.6,9.8,c:11|
Show InChI InChI=1S/C68H79N11O10/c1-67(2)54(28-11-6-5-7-12-29-55-68(3,4)61-47-25-16-14-23-45(47)31-33-53(61)79(55)39-35-58(82)83)78(52-32-30-44-22-13-15-24-46(44)60(52)67)38-34-56(80)71-36-18-17-26-49-63(87)75-48(27-19-37-72-66(69)70)62(86)73-42-57(81)74-51(41-59(84)85)65(89)77-50(64(88)76-49)40-43-20-9-8-10-21-43/h5-16,20-25,28-33,48-51H,17-19,26-27,34-42H2,1-4H3,(H11-,69,70,71,72,73,74,75,76,77,80,81,82,83,84,85,86,87,88,89)/p+1/t48-,49-,50+,51-/m0/s1
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Similars
Article
PubMed
 0.663n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]-c(RGDyK) from human integrin alphavbeta3 after 16 hrs by scintillation counting

Bioorg Med Chem Lett 22: 5405-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.044
BindingDB Entry DOI: 10.7270/Q2H70GW4
More data for this
Ligand-Target Pair