Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM270589'   

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))	BDBM270589 ((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...) Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r| Show InChI InChI=1S/C26H28ClF3N8/c1-14-16(5-6-20(28)34-14)22(19-11-38(37-36-19)26(7-8-26)24(29)30)35-15-9-17-21(18(27)10-15)32-13-33-23(17)31-12-25(2,3)4/h5-6,9-11,13,22,24,35H,7-8,12H2,1-4H3,(H,31,32,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10577352 (2020) BindingDB Entry DOI: 10.7270/Q20P12D3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270589 ((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...) Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r| Show InChI InChI=1S/C26H28ClF3N8/c1-14-16(5-6-20(28)34-14)22(19-11-38(37-36-19)26(7-8-26)24(29)30)35-15-9-17-21(18(27)10-15)32-13-33-23(17)31-12-25(2,3)4/h5-6,9-11,13,22,24,35H,7-8,12H2,1-4H3,(H,31,32,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.0	25
GILEAD SCIENCES, INC. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10059695 (2018) BindingDB Entry DOI: 10.7270/Q2FB54Z6
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270589 ((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...) Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r| Show InChI InChI=1S/C26H28ClF3N8/c1-14-16(5-6-20(28)34-14)22(19-11-38(37-36-19)26(7-8-26)24(29)30)35-15-9-17-21(18(27)10-15)32-13-33-23(17)31-12-25(2,3)4/h5-6,9-11,13,22,24,35H,7-8,12H2,1-4H3,(H,31,32,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10577352 (2020) BindingDB Entry DOI: 10.7270/Q20P12D3
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM270589 ((S)-8-chloro-N6-((1- (1- (difluoromethyl) cyclopro...) Show SMILES Cc1nc(F)ccc1[C@H](Nc1cc(Cl)c2ncnc(NCC(C)(C)C)c2c1)c1cn(nn1)C1(CC1)C(F)F |r| Show InChI InChI=1S/C26H28ClF3N8/c1-14-16(5-6-20(28)34-14)22(19-11-38(37-36-19)26(7-8-26)24(29)30)35-15-9-17-21(18(27)10-15)32-13-33-23(17)31-12-25(2,3)4/h5-6,9-11,13,22,24,35H,7-8,12H2,1-4H3,(H,31,32,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	28	n/a	n/a	7.0	25
GILEAD SCIENCES, INC. US Patent					Assay Description EGFR activity was measured using KinEASE (Cisbio), a time-resolved fluorescence resonance energy transfer (TR-FRET) immunoassay. In this assay, EGFR-...				US Patent US10059695 (2018) BindingDB Entry DOI: 10.7270/Q2FB54Z6
					More data for this Ligand-Target Pair