BDBM50248967 1-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-3-(2-nitrophenyl)urea::CHEMBL475554
SMILES: [O-][N+](=O)c1ccccc1NC(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1
InChI Key: InChIKey=LYWURPUUGRPDKS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50248967 (1-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay | Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50248967 (1-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay | Bioorg Med Chem 17: 2524-35 (2009) Article DOI: 10.1016/j.bmc.2009.01.072 BindingDB Entry DOI: 10.7270/Q2X63QS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50248967 (1-(4-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phe...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay | Bioorg Med Chem Lett 20: 180-3 (2010) Article DOI: 10.1016/j.bmcl.2009.11.004 BindingDB Entry DOI: 10.7270/Q2G73DT7 | |||||||||||
More data for this Ligand-Target Pair |