BindingDB PrimarySearch

BDBM50033373 CHEMBL3357641

SMILES: CN(C)C\C=C(/F)C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1

InChI Key: InChIKey=HZBHTRUJNPPRNW-KAZCASEASA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50033373
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human hepatic microsomes after 20 mins by LC/MS/MS method				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human hepatic microsomes after 20 mins by LC/MS/MS method				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human hepatic microsomes after 20 mins by LC/MS/MS method				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type HER2 (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human hepatic microsomes after 20 mins by LC/MS/MS method				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR T790M mutant (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of wild type EGFR (unknown origin) incubated for 5 mins by HTRF assay				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50033373 (CHEMBL3357641) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human hepatic microsomes after 20 mins by LC/MS/MS method				J Med Chem 57: 9889-900 (2014) Article DOI: 10.1021/jm5014659 BindingDB Entry DOI: 10.7270/Q26W9CPC
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair