null

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1

InChI Key: InChIKey=XRBWJTJUCPVZMO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 318870   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...				US Patent US10172868 (2019) BindingDB Entry DOI: 10.7270/Q25141BX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...				US Patent US10172868 (2019) BindingDB Entry DOI: 10.7270/Q25141BX
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R] (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description (i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...				US Patent US10653701 (2020)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM318870 (N-(3-(7-methyl-2-((4-(4-methylpiperazin-1-yl)pheny...) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(C)c(-c4cccc(NC(=O)C=C)c4)c3n2)cc1 Show InChI InChI=1S/C29H30N6O/c1-4-26(36)31-24-7-5-6-21(18-24)27-20(2)8-9-22-19-30-29(33-28(22)27)32-23-10-12-25(13-11-23)35-16-14-34(3)15-17-35/h4-13,18-19H,1,14-17H2,2-3H3,(H,31,36)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
NEUPHARMA, INC. US Patent					Assay Description (i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...				US Patent US10653701 (2020)
					More data for this Ligand-Target Pair