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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombospondin-1' and Ligand = 'BDBM50541831'   
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)
BDBM50541831
PNG
(CHEMBL4644535)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CO)NC(C)=O)C(N)=O
Show InChI InChI=1S/C19H37N5O5/c1-12(2)10-15(17(20)27)23-18(28)14(8-6-7-9-24(4)5)22-19(29)16(11-25)21-13(3)26/h12,14-16,25H,6-11H2,1-5H3,(H2,20,27)(H,21,26)(H,22,29)(H,23,28)/t14-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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