Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM50301183'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50301183 (2-hydroxyethyl 4-(2-(pyridin-2-yl)-5,6-dihydro-4H-...) Show SMILES OCCOC(=O)Nc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(27.2,-11.96,;27.83,-13.37,;29.37,-13.52,;30,-14.93,;31.53,-15.09,;32.44,-13.84,;32.17,-16.49,;33.7,-16.65,;34.6,-15.4,;36.13,-15.56,;36.75,-16.96,;38.29,-17.12,;38.91,-18.53,;38.01,-19.77,;36.47,-19.61,;35.85,-18.2,;34.33,-18.04,;39.19,-15.88,;38.72,-14.42,;37.47,-13.52,;37.93,-12.06,;39.47,-12.04,;39.96,-13.5,;41.22,-14.42,;40.74,-15.88,;41.64,-17.13,;41.01,-18.54,;41.91,-19.78,;43.44,-19.62,;44.07,-18.21,;43.16,-16.97,)| Show InChI InChI=1S/C23H21N5O3/c29-12-13-31-23(30)26-15-6-7-16-17(8-10-25-19(16)14-15)21-20-5-3-11-28(20)27-22(21)18-4-1-2-9-24-18/h1-2,4,6-10,14,29H,3,5,11-13H2,(H,26,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of TGFR1				Eur J Med Chem 44: 4259-65 (2009) Article DOI: 10.1016/j.ejmech.2009.07.008 BindingDB Entry DOI: 10.7270/Q2BC3ZM9
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