BDBM50032611 CHEMBL3354185

SMILES: COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1

InChI Key: InChIKey=CBLSWPLVIPVELR-UHFFFAOYSA-N

Data: 3 KI  4 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 7 hits for monomerid = 50032611   

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))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughput biochemical screening				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput biochemical screening				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of Tyk2 (unknown origin)				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of Jak2 (unknown origin)				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin)				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50032611 (CHEMBL3354185) Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(nc3cn2)-c2cn[nH]c2)n1 Show InChI InChI=1S/C19H21N9O/c1-29-13-3-6-28(7-4-13)19-20-5-2-16(27-19)26-17-8-14-15(11-21-17)25-18(24-14)12-9-22-23-10-12/h2,5,8-11,13H,3-4,6-7H2,1H3,(H,22,23)(H,24,25)(H,20,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				J Med Chem 57: 10176-91 (2014) Article DOI: 10.1021/jm501578n BindingDB Entry DOI: 10.7270/Q2XK8H5B
					More data for this Ligand-Target Pair