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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Galectin-7' and Ligand = 'BDBM223990'   
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-7


(Homo sapiens (Human))
BDBM223990
PNG
(2-[6-Maleimide)caproyl]ethyl [3-O-(2-naphthyl)meth...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCCNC(=O)CCCCCN1C(=O)C=CC1=O |r,c:62|
Show InChI InChI=1S/C43H53N3O15/c1-56-29-11-7-10-28(21-29)41(55)45-35-37(53)39(31(23-48)60-42(35)57-19-17-44-32(49)12-3-2-6-18-46-33(50)15-16-34(46)51)61-43-38(54)40(36(52)30(22-47)59-43)58-24-25-13-14-26-8-4-5-9-27(26)20-25/h4-5,7-11,13-16,20-21,30-31,35-40,42-43,47-48,52-54H,2-3,6,12,17-19,22-24H2,1H3,(H,44,49)(H,45,55)/t30?,31?,35?,36-,37?,38?,39+,40?,42+,43-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.29E+5n/an/an/an/a25



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM223990
PNG
(2-[6-Maleimide)caproyl]ethyl [3-O-(2-naphthyl)meth...)
Show SMILES COc1cccc(c1)C(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(OCc3ccc4ccccc4c3)C2O)C(CO)O[C@H]1OCCNC(=O)CCCCCN1C(=O)C=CC1=O |r,c:62|
Show InChI InChI=1S/C43H53N3O15/c1-56-29-11-7-10-28(21-29)41(55)45-35-37(53)39(31(23-48)60-42(35)57-19-17-44-32(49)12-3-2-6-18-46-33(50)15-16-34(46)51)61-43-38(54)40(36(52)30(22-47)59-43)58-24-25-13-14-26-8-4-5-9-27(26)20-25/h4-5,7-11,13-16,20-21,30-31,35-40,42-43,47-48,52-54H,2-3,6,12,17-19,22-24H2,1H3,(H,44,49)(H,45,55)/t30?,31?,35?,36-,37?,38?,39+,40?,42+,43-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.10E+4n/an/an/an/a4



Université de Nantes



Assay Description
Fluorescence anisotropy was measured on a Tecan infinite M1000 plate reader with an excitation at 470 nm and emission at 525 nm, using Greiner 96 fla...


Chembiochem 18: 782-789 (2017)


Article DOI: 10.1002/cbic.201600673
BindingDB Entry DOI: 10.7270/Q2HQ3XRP
More data for this
Ligand-Target Pair