BDBM50515957 CHEMBL4468999
SMILES: COc1cc(\C=C\C(=O)OCCCCCN(C)C[C@@H](C)COC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChI Key: InChIKey=UOTPBYXZVSXKPK-CHHLAKQQSA-N
Data: 3 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50515957 (CHEMBL4468999) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM dye b... | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM50515957 (CHEMBL4468999) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM ... | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human)) | BDBM50515957 (CHEMBL4468999) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a |
University of Florence Curated by ChEMBL | Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK cells assessed as increase in Hoechst 33342 accumulation incubated for 30 mins by Hoechst 33342... | Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111655 | |||||||||||
More data for this Ligand-Target Pair |