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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sialic acid-binding Ig-like lectin 7' and Ligand = 'BDBM50230647'   
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
Sialic acid-binding Ig-like lectin 7


(Homo sapiens (Human))
BDBM50230647
PNG
(CHEMBL4096201)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C([O-])=O)[C@H](O)[C@H](O)CNS(=O)(=O)CC |r|
Show InChI InChI=1S/C30H39N5O10S.Na/c1-3-46(42,43)31-17-25(38)27(39)28-26(32-19(2)36)24(37)16-30(45-28,29(40)41)44-15-7-14-35-18-23(33-34-35)22-12-10-21(11-13-22)20-8-5-4-6-9-20;/h4-6,8-13,18,24-28,31,37-39H,3,7,14-17H2,1-2H3,(H,32,36)(H,40,41);/q;+1/p-1/t24-,25+,26+,27+,28+,30+;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



G3-BioTec

Curated by ChEMBL


Assay Description
Binding affinity to human IgG1-fused Siglec-7-Fc assessed as inhibition of Siglec-7-Fc binding to RBC preincubated for 10 mins followed by RBC additi...


J Med Chem 60: 941-956 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01111
BindingDB Entry DOI: 10.7270/Q2HQ4253
More data for this
Ligand-Target Pair
Sialic acid-binding Ig-like lectin 7


(Homo sapiens (Human))
BDBM50230647
PNG
(CHEMBL4096201)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OCCCn1cc(nn1)-c1ccc(cc1)-c1ccccc1)C([O-])=O)[C@H](O)[C@H](O)CNS(=O)(=O)CC |r|
Show InChI InChI=1S/C30H39N5O10S.Na/c1-3-46(42,43)31-17-25(38)27(39)28-26(32-19(2)36)24(37)16-30(45-28,29(40)41)44-15-7-14-35-18-23(33-34-35)22-12-10-21(11-13-22)20-8-5-4-6-9-20;/h4-6,8-13,18,24-28,31,37-39H,3,7,14-17H2,1-2H3,(H,32,36)(H,40,41);/q;+1/p-1/t24-,25+,26+,27+,28+,30+;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



G3-BioTec

Curated by ChEMBL


Assay Description
Binding affinity to human IgG1-fused Siglec-7-Fc measured after 2.5 hrs by ELISA


J Med Chem 60: 941-956 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01111
BindingDB Entry DOI: 10.7270/Q2HQ4253
More data for this
Ligand-Target Pair