BDBM50344752 CHEMBL1777831::methyl 4-(4-(2-(6-methoxy-7-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenylcarbamoyl)-2-(quinoline-6-carboxamido)benzoate
SMILES: COCCOCCOCCOc1cc2CN(CCc3ccc(NC(=O)c4ccc(C(=O)OC)c(NC(=O)c5ccc6ncccc6c5)c4)cc3)CCc2cc1OC
InChI Key: InChIKey=FKTHCDIXZKIHTP-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50344752 (CHEMBL1777831 | methyl 4-(4-(2-(6-methoxy-7-(2-(2-...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 508 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional de Colombia Curated by ChEMBL | Assay Description Inhibition of ABCG2 expressed in human MCF7/Topo cells by Hoechst microplate assay | Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50344752 (CHEMBL1777831 | methyl 4-(4-(2-(6-methoxy-7-(2-(2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | 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 |
Universidad Nacional de Colombia Curated by ChEMBL | Assay Description Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay | Bioorg Med Chem Lett 21: 3654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.094 BindingDB Entry DOI: 10.7270/Q22J6C5T | |||||||||||
More data for this Ligand-Target Pair |