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BDBM50198311 (R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)propyl)-4-bromo-N-(3-(dimethylamino)propyl)benzamide::CHEMBL254190
SMILES: CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
InChI Key: InChIKey=PZVLDHUUSWUATQ-HHHXNRCGSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50198311 ((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human Eg5 expressed in Escherichia coli assessed as microtubule-activated ATPase activity by spectrophotometry | Bioorg Med Chem 18: 4167-77 (2010) Article DOI: 10.1016/j.bmc.2010.05.024 BindingDB Entry DOI: 10.7270/Q2BK1CJP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50198311 ((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins | Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50198311 ((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of KSP | Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM50198311 ((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis | Bioorg Med Chem 19: 5612-27 (2011) Article DOI: 10.1016/j.bmc.2011.07.029 BindingDB Entry DOI: 10.7270/Q2B858HD | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aurora kinase A (Homo sapiens (Human)) | BDBM50198311 ((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of human purified recombinant aurora-A kinase | Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
