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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50247481'   
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))		BDBM50247481
PNG
(CHEMBL4077188)
Show SMILES CCCCNC(=O)c1cn(nn1)[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@@H]1O |r|
Show InChI InChI=1S/C27H34F3N7O9S2/c1-2-3-4-31-25(44)15-8-37(35-33-15)20-22(41)17(10-39)46-27(24(20)43)48-47-26-23(42)19(21(40)16(9-38)45-26)36-7-14(32-34-36)11-5-12(28)18(30)13(29)6-11/h5-8,16-17,19-24,26-27,38-43H,2-4,9-10H2,1H3,(H,31,44)/t16-,17-,19+,20+,21+,22+,23-,24-,26+,27+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.30E+4n/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