Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50292509'   

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 (Homo sapiens (Human))	BDBM50292509 ((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50292509 ((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair