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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50509531'   
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


(Homo sapiens (Human))		BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay

ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair