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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50247502'   
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))		BDBM50247502
PNG
(CHEMBL4077748)
Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cc4c(F)c(F)ccc4oc3=O)[C@H]2O)[C@H](O)[C@@H](OCc2cc3c(F)c(F)ccc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C32H30F4O14S2/c33-15-1-3-17-13(21(15)35)5-11(29(43)47-17)9-45-27-23(39)19(7-37)49-31(25(27)41)51-52-32-26(42)28(24(40)20(8-38)50-32)46-10-12-6-14-18(48-30(12)44)4-2-16(34)22(14)36/h1-6,19-20,23-28,31-32,37-42H,7-10H2/t19-,20-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 3.90E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta...

J Med Chem 61: 1164-1175 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01626
BindingDB Entry DOI: 10.7270/Q2794743
More data for this
Ligand-Target Pair