BDBM50249854 12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperidyl-2-thienyl-5-thiocarboxamido)-1H,5H-thioxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate::CHEMBL450642
SMILES: C[N+](C)=c1ccc2c(-c3ccc(s3)C(=S)N3CCCCC3)c3cc4CCCN5CCCc(c45)c3sc2c1
InChI Key: InChIKey=RDKXRJIBKUCXNT-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50249854 (12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
The State University of New York Curated by ChEMBL | Assay Description Inhibition of human MDR1 expressed in HEK cells assessed as [3H]vinblastine transport after 2.5 mins by scintillation count | J Med Chem 52: 3328-41 (2009) Article DOI: 10.1021/jm900253g BindingDB Entry DOI: 10.7270/Q29Z94SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50249854 (12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The State University of New York Curated by ChEMBL | Assay Description Inhibition of MDR1 transfected in MDCK2 cells assessed as increase in calcein AM uptake incubated for 30 mins prior to calcein AM influx measured aft... | Bioorg Med Chem 20: 4290-302 (2012) Article DOI: 10.1016/j.bmc.2012.05.075 BindingDB Entry DOI: 10.7270/Q2862HM6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50249854 (12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The State University of New York Curated by ChEMBL | Assay Description Inhibition of human MDR1 expressed in MDCK2 cells assessed as enhancement of Calcein-AM uptake treated 30 mins before Calcein-AM challenge measured a... | J Med Chem 52: 3328-41 (2009) Article DOI: 10.1021/jm900253g BindingDB Entry DOI: 10.7270/Q29Z94SF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-glycoprotein 1 (Homo sapiens (Human)) | BDBM50249854 (12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-piperid...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
The State University of New York Curated by ChEMBL | Assay Description Inhibition of verapamil-stimulated ATPase activity of human histidine10-tagged MDR1 expressed in BHK cells | J Med Chem 52: 3328-41 (2009) Article DOI: 10.1021/jm900253g BindingDB Entry DOI: 10.7270/Q29Z94SF | |||||||||||
More data for this Ligand-Target Pair |