null
SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl
InChI Key: InChIKey=BCSHRERPHLTPEE-NRFANRHFSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Insulin receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of INSR (unknown origin) by cell based assay | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISA | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m... | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Insulin receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assay | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae) | BDBM50193811 (CHEMBL3951811) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE 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 |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of human ERG | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Focal adhesion kinase 1 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of FAK phosphorylation in human HCC827 cells after 2 to 2.5 hrs by immunoblot analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Binding affinity to human ALK (1088 to 1409 residues) expressed in mammalian system by KINOMEscan assay | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H3122 cells | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of EML4-ALK tyrosine phosphorylation in human NCI-H2228 cells | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Focal adhesion kinase 1 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assay | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50193811 (CHEMBL3951811) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysis | J Med Chem 59: 7478-96 (2016) Article DOI: 10.1021/acs.jmedchem.6b00487 BindingDB Entry DOI: 10.7270/Q2D79DC2 | |||||||||||
More data for this Ligand-Target Pair |