BDBM50330550 CHEMBL1277474::N-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
SMILES: CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChI Key: InChIKey=LVJNXLPLFAZAJC-UHFFFAOYSA-N
Data: 3 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)) | BDBM50330550 (CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 180 | 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)) | BDBM50330550 (CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University Curated by ChEMBL | Assay Description Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis | Eur J Med Chem 62: 614-31 (2013) Article DOI: 10.1016/j.ejmech.2013.01.031 BindingDB Entry DOI: 10.7270/Q2KH0PP9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50330550 (CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.03E+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 |