BDBM50529377 CHEMBL4558528

SMILES: CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1

InChI Key: InChIKey=ZPNTXOKOIHPCLI-UHFFFAOYSA-N

Data: 9 IC50  2 Kd

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 11 hits for monomerid = 50529377   

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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged KIT V559D/V654A double mutant expressed in baculovirus expression system at 10 uM by kinomescan assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of tracer 236 binding to recombinant full length human GST-tagged SLK expressed in baculovirus expression system measured after 60 mins by...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length SLK (S14 to A307 residues) expressed in bacterial expression system assessed as residual binding l...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR triple T790M/L858R/C797S mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hrs in presence of 1 ug/ml C...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR triple T790M/L858R/C797S mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of EGFR double T790M/L858R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as reduction in cell growth incubated for 72 hr...				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50529377 (CHEMBL4558528) Show SMILES CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1 Show InChI InChI=1S/C31H29FN4O2/c1-34-15-17-35(18-16-34)24-8-10-25(11-9-24)38-26-12-14-28-27(20-26)31(37)36(21-22-5-3-2-4-6-22)30-19-23(32)7-13-29(30)33-28/h2-14,19-20,33H,15-18,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged EGFR double T790M/L858R mutant (696 to 1022 residues) expressed in Sf21 insect cells by HTRF assay				ACS Med Chem Lett 10: 1549-1553 (2019) Article DOI: 10.1021/acsmedchemlett.9b00381
					More data for this Ligand-Target Pair