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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombospondin-1' and Ligand = 'BDBM50541834'   
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
Thrombospondin-1


(Homo sapiens)		BDBM50541834
PNG
(CHEMBL4644197)
Show SMILES CCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1S/C18H35N5O5/c1-4-15(25)21-14(10-24)18(28)22-12(7-5-6-8-19)17(27)23-13(16(20)26)9-11(2)3/h11-14,24H,4-10,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,28)(H,23,27)/t12-,13-,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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
BindingDB Entry DOI: 10.7270/Q2M330BV
More data for this
Ligand-Target Pair