BDBM50258974 CHEMBL4090601

SMILES: Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C

InChI Key: InChIKey=UTTWFQUHUQLZGF-GOSISDBHSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50258974   

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))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow...				J Med Chem 60: 7725-7744 (2017) Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system using TK-substrate after 25 min...				J Med Chem 61: 4290-4300 (2018) Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expressed in baculovirus expression system preincubated for 30 mins follow...				J Med Chem 60: 7725-7744 (2017) Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human EGFR L858R/T790M/C797S mutant using TK-substrate after 10 mins by HTRF KinEASE-TK assay				J Med Chem 61: 4290-4300 (2018) Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TU Dortmund University Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculovirus expression system preincubated for 30 mins followed by ATP and ...				J Med Chem 60: 7725-7744 (2017) Article DOI: 10.1021/acs.jmedchem.7b00515 BindingDB Entry DOI: 10.7270/Q28W3GS9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50258974 (CHEMBL4090601) Show SMILES Nc1ncnc2n(nc(-c3ccc4ccccc4c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C23H22N6O/c1-2-19(30)28-11-5-8-18(13-28)29-23-20(22(24)25-14-26-23)21(27-29)17-10-9-15-6-3-4-7-16(15)12-17/h2-4,6-7,9-10,12,14,18H,1,5,8,11,13H2,(H2,24,25,26)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human EGFR cytoplasmic domain T790M/C797S mutant expressed in baculovirus expression system using TK-substrate aft...				J Med Chem 61: 4290-4300 (2018) Article DOI: 10.1021/acs.jmedchem.7b01310 BindingDB Entry DOI: 10.7270/Q2VQ358D
					More data for this Ligand-Target Pair