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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombospondin-1' and Ligand = 'BDBM50541828'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombospondin-1


(Homo sapiens)
BDBM50541828
PNG
(CHEMBL4633877)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O
Show InChI InChI=1S/C18H35N5O5/c1-11(2)9-15(16(20)26)23(4)18(28)13(7-5-6-8-19)22-17(27)14(10-24)21-12(3)25/h11,13-15,24H,5-10,19H2,1-4H3,(H2,20,26)(H,21,25)(H,22,27)/t13-,14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA


ACS Med Chem Lett 11: 1130-1136 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00540
More data for this
Ligand-Target Pair