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PDB code 3T2T

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
Galectin-1

  (135/135 = 100%)†
(Homo sapiens (human))		BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
PDB
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NCI pathway
KEGG

UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem

Similars
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Article
PubMed
n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin1 by fluorescence polarization assay

Bioorg Med Chem Lett 18: 3691-4 (2008)

More data for this
Ligand-Target Pair		3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output