BDBM6503 4-Anilino-3-cyanoquinoline deriv. 4::6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
SMILES: COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC
InChI Key: InChIKey=LNRFTLQUUQAWMM-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 35 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Wyeth-Ayerst Research | Assay Description Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra... | Bioorg Med Chem Lett 10: 2477-80 (2000) Article DOI: 10.1016/S0960-894X(00)00493-5 BindingDB Entry DOI: 10.7270/Q20P0X7T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to wild-type human partial length EGFR (R669 to V1011 residues) expressed in bacterial expression system by Kinomescan method | J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase GAK (Homo sapiens (Human)) | BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of tracer 5 binding to human N-terminal nano luciferase-fused GAK expressed in HEK293 cells measured after 2 hrs by nanoBRET assay | J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epidermal growth factor receptor (Homo sapiens (Human)) | BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim... | J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase GAK (Homo sapiens (Human)) | BDBM6503 (4-Anilino-3-cyanoquinoline deriv. 4 | 6,7-dimethox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.420 | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill Curated by ChEMBL | Assay Description Binding affinity to wild-type human partial length GAK (G13 to Y338 residues) expressed in bacterial expression system by Kinomescan method | J Med Chem 62: 4772-4778 (2019) Article DOI: 10.1021/acs.jmedchem.9b00350 | |||||||||||
More data for this Ligand-Target Pair |