BDBM6094 3-quinolinecarbonitrile 18::4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]-3-quinolinecarbonitrile::4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinoline-3-carbonitrile::4-phenylamino-3-quinolinecarbonitrile 2
SMILES: COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
InChI Key: InChIKey=TXAYKQMEBQBGLR-UHFFFAOYSA-N
Data: 5 IC50
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)) | BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono... | J Med Chem 48: 3891-902 (2005) Article DOI: 10.1021/jm050175p BindingDB Entry DOI: 10.7270/Q2T43R88 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono... | J Med Chem 48: 3891-902 (2005) Article DOI: 10.1021/jm050175p BindingDB Entry DOI: 10.7270/Q2T43R88 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calmodulin/Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of recombinant human Src kinase | J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ABL (Homo sapiens (Human)) | BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of Abl kinase | J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth 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 13: 3797-800 (2003) Article DOI: 10.1016/j.bmcl.2003.07.001 BindingDB Entry DOI: 10.7270/Q27942VF | |||||||||||
More data for this Ligand-Target Pair |