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PubMed code 21601452

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
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50265534
PNG
(2-((2R,8R,11R,14S)-11-(4-aminobutyl)-8-(3-guanidin...)
Show SMILES NCCCC[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O
Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-25(43)35-19(12-15-6-8-16(37)9-7-15)26(44)36-20(13-22(39)40)23(41)32-14-21(38)33-17(24(42)34-18)5-3-11-31-27(29)30/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 116n/an/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Displacement of [125]I-echistatin from alphaVbeta3 integrin expressed in human U87MG cells by competitive binding assay


Bioorg Med Chem Lett 21: 5011-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.116
BindingDB Entry DOI: 10.7270/Q2319X5Q
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens-Homo sapiens (Human))
BDBM50419042
PNG
(CHEMBL1824706)
Show SMILES NC(N)=NCCC[C@H]1NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCCNC(=O)CCCC(=O)Nc2ccc(nc2)C2=NN=C([C@@H]3CCC[C@H](CC[C@@H]23)OCCF)c2ccccn2)NC1=O
Show InChI InChI=1S/C54H71FN14O11/c55-23-27-80-35-8-5-9-36-37(21-20-35)49(69-68-48(36)38-10-1-3-24-58-38)39-22-17-33(30-61-39)63-45(72)14-6-13-44(71)59-25-4-2-11-41-52(78)66-42(28-32-15-18-34(70)19-16-32)53(79)67-43(29-47(74)75)50(76)62-31-46(73)64-40(51(77)65-41)12-7-26-60-54(56)57/h1,3,10,15-19,22,24,30,35-37,40-43,70H,2,4-9,11-14,20-21,23,25-29,31H2,(H,59,71)(H,62,76)(H,63,72)(H,64,73)(H,65,77)(H,66,78)(H,67,79)(H,74,75)(H4,56,57,60)/t35-,36-,37-,40-,41-,42+,43-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 193n/an/an/an/an/an/a



University of Delaware

Curated by ChEMBL


Assay Description
Displacement of [125]I-echistatin from alphaVbeta3 integrin expressed in human U87MG cells by competitive binding assay


Bioorg Med Chem Lett 21: 5011-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.116
BindingDB Entry DOI: 10.7270/Q2319X5Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%