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PubMed code 26818999

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50235980
PNG
(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)
Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#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]-1=O |r|
Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.580n/an/an/an/an/an/a



University of Milano

Curated by ChEMBL


Assay Description
Displacement of biotinylated ECM from human placental integrin alphavbeta3 receptor incubated for 3 hrs


Bioorg Med Chem 24: 989-94 (2016)


Article DOI: 10.1016/j.bmc.2016.01.023
BindingDB Entry DOI: 10.7270/Q2KP854P
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50500744
PNG
(CHEMBL3754095)
Show SMILES OC(=O)C[C@H](NC(=O)Cn1cc(CCCNc2ccccn2)nn1)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C21H24N6O4/c28-17-8-6-15(7-9-17)18(12-21(30)31)24-20(29)14-27-13-16(25-26-27)4-3-11-23-19-5-1-2-10-22-19/h1-2,5-10,13,18,28H,3-4,11-12,14H2,(H,22,23)(H,24,29)(H,30,31)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 221n/an/an/an/an/an/a



University of Milano

Curated by ChEMBL


Assay Description
Displacement of 125-I-echistatin from human placental integrin alphavbeta3 receptor incubated for 3 hrs by microplate scintillation counting analysis


Bioorg Med Chem 24: 989-94 (2016)


Article DOI: 10.1016/j.bmc.2016.01.023
BindingDB Entry DOI: 10.7270/Q2KP854P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%