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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-5' and Ligand = 'BDBM50392277'   
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-5


(Homo sapiens (Human))
BDBM50392277
PNG
(CHEMBL2153645)
Show SMILES [#6]-[#6][C@@]1([#8])[#6](=O)-[#8]-[#6]-c2c1cc1-c3nc4ccc(-[#8]-[#6](=O)-[#7]-5-[#6]-[#6]-[#7](-[#6]-[#6]-5)-[#6](=O)-c5ccc(-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](=O)-[#7]-6-[#6]-[#6]-[#7](-[#6]-[#6]-6)-c6cccc(c6)\[#7]=[#6]-6/[#7]-[#6]-[#6]-[#6]-[#7]-6)-[#6](-[#8])=O)cc5)cc4c(\[#6]=[#7]\[#8]C([#6])([#6])[#6])c3-[#6]-n1c2=O |r|
Show InChI InChI=1S/C58H65N11O13/c1-5-58(78)44-30-47-49-42(32-69(47)51(72)43(44)34-79-53(58)75)41(31-61-82-57(2,3)4)40-29-39(14-15-45(40)63-49)81-56(77)68-26-24-67(25-27-68)50(71)36-12-10-35(11-13-36)33-80-55(76)64-46(52(73)74)16-17-48(70)66-22-20-65(21-23-66)38-9-6-8-37(28-38)62-54-59-18-7-19-60-54/h6,8-15,28-31,46,78H,5,7,16-27,32-34H2,1-4H3,(H,64,76)(H,73,74)(H2,59,60,62)/b61-31+/t46-,58-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 0.760n/an/an/an/an/an/a



sigma-tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Displacement of [125I]echistatin from integrin alpha5beta5 after 3 hrs by gamma counter


Bioorg Med Chem Lett 22: 6509-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.061
BindingDB Entry DOI: 10.7270/Q2GM88DW
More data for this
Ligand-Target Pair