BDBM50318122 (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(3-hydroxypropyl)piperazin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one::CHEMBL1095439
SMILES: Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCN(CCCO)CC1
InChI Key: InChIKey=ZQLGJARKBUVURE-XMMPIXPASA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Insulin-like growth factor I receptor (Homo sapiens (Human)) | BDBM50318122 ((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of IGF1R | Bioorg Med Chem Lett 20: 3182-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.057 BindingDB Entry DOI: 10.7270/Q2GX4BQB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50318122 ((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of CYP3A4 assessed as dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin | Bioorg Med Chem Lett 20: 3182-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.057 BindingDB Entry DOI: 10.7270/Q2GX4BQB | |||||||||||
More data for this Ligand-Target Pair |