BindingDB PrimarySearch

BDBM50404281 CHEMBL2111784

SMILES: C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1

InChI Key: InChIKey=HJEPFPDXSFKWQH-IBGZPJMESA-N

Data: 19 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50404281
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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human Met proto-oncogene tyrosine kinase				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 3A4				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 1A2				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Jun N-terminal kinase 2				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human Epidermal growth factor receptor, HER-1				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cyclin-dependent kinase 1				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 2C9				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Src				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB UniProtKB/SwissProt 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Kit kinase				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Mus musculus (mouse))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Jun N-terminal kinase 1				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human RAF proto-oncogene serine/threonine-protein kinase				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 2D6				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human prostaglandin G/H synthase 1, COX-1				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human vascular endothelial growth factor receptor 2				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human c-Abl				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human insulin-like growth factor I receptor				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50404281 (CHEMBL2111784) 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	700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor				Bioorg Med Chem Lett 14: 3595-9 (2004) Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C
					More data for this Ligand-Target Pair