Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM223089'   

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
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM223089 (2-Chloroethyl 4-(6-((5-((2-chloro-6-methylphenyl)c...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CC1)C(=O)OCCCl Show InChI InChI=1S/C23H25Cl2N7O3S/c1-14-4-3-5-16(25)20(14)30-21(33)17-13-26-22(36-17)29-18-12-19(28-15(2)27-18)31-7-9-32(10-8-31)23(34)35-11-6-24/h3-5,12-13H,6-11H2,1-2H3,(H,30,33)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21	n/a	n/a	n/a	n/a	7.5	25
Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...				Chem Biol Drug Des 89: 420-427 (2017) Article DOI: 10.1111/cbdd.12863 BindingDB Entry DOI: 10.7270/Q29C6W98
					More data for this Ligand-Target Pair