BDBM50293018 CHEMBL500094::N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2-methylphenyl)quinoline-3-carboxamide
SMILES: COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C)c(NC(=O)c5cnc6ccccc6c5)c4)cc3)Cc2cc1OC
InChI Key: InChIKey=NCKBFOUPAZMEMD-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 |
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Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human)) | BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) | UniProtKB/SwissProt 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 |
University of Regensburg Curated by ChEMBL | Assay Description Inhibition of ABCC2 overexpressed in MDCK cells at 100 uM by flow cytometric-based chloromethylfluorescein-diacetate accumulation assay | J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) | 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 | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg Curated by ChEMBL | Assay Description Inhibition of ABCG2 overexpressed in human MCF7/Topo cells by flow cytometric-based mitoxantrone efflux assay | J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50293018 (CHEMBL500094 | N-(5-((4-(2-(6,7-Dimethoxy-1,2,3,4-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg Curated by ChEMBL | Assay Description Inhibition of ABCB1 overexpressed in human KBv1 cells by flow cytometric-based calcein-AM efflux assay | J Med Chem 52: 1190-7 (2009) Article DOI: 10.1021/jm8013822 BindingDB Entry DOI: 10.7270/Q2VH5PQ4 | |||||||||||
More data for this Ligand-Target Pair |