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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 50001328   
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-3


(Homo sapiens)
BDBM50254202
PNG
(2-((3S,6R,11R,14R,20S,28aS)-11-amino-3-(2-amino-2-...)
Show SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)CNC1=O)C(N)=O
Show InChI InChI=1S/C29H46N10O12S2/c1-12(2)3-15-26(48)34-8-22(43)39-9-13(40)4-19(39)29(51)37-16(5-20(31)41)28(50)38-18(24(32)46)11-53-52-10-14(30)25(47)36-17(6-23(44)45)27(49)33-7-21(42)35-15/h12-19,40H,3-11,30H2,1-2H3,(H2,31,41)(H2,32,46)(H,33,49)(H,34,48)(H,35,42)(H,36,47)(H,37,51)(H,38,50)(H,44,45)/t13?,14-,15-,16-,17+,18-,19-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 400n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to integrin alpha3beta1 expressed in human MDA-MB-231 cells by flow cytometry


J Med Chem 52: 126-33 (2009)


Article DOI: 10.1021/jm801062d
BindingDB Entry DOI: 10.7270/Q2VM4C4F
More data for this
Ligand-Target Pair