Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [1-18,20-745,747-749,751-1210]' and Ligand = 'BDBM495016'   

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
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210] (Homo sapiens (Human))	BDBM495016 (US10994015, Example 312) Show SMILES CC(C)n1nc(N2CCN(CC3CCN(CC3)c3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)CC2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 Show InChI InChI=1S/C42H47N13O6S/c1-25(2)55-34-20-36(46-35-9-12-43-38(47-35)27-21-45-53(24-27)62(60,61)29-4-5-29)44-22-32(34)39(49-55)52-17-15-50(16-18-52)23-26-10-13-51(14-11-26)28-3-6-30-31(19-28)42(59)54(41(30)58)33-7-8-37(56)48-40(33)57/h3,6,9,12,19-22,24-26,29,33H,4-5,7-8,10-11,13-18,23H2,1-2H3,(H,48,56,57)(H,43,44,46,47)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
ARVINAS OPERATIONS, INC.; YALE UNIVERSITY US Patent					Assay Description All compounds and PROTACs were serially diluted in three-fold increments using 100% DMSO, followed by an intermediate 10-fold dilution using Buffer A...				US Patent US10994015 (2021) BindingDB Entry DOI: 10.7270/Q2NS0Z1G
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