Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50140829'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry				J Med Chem 59: 3018-33 (2016) Article DOI: 10.1021/acs.jmedchem.5b01644 BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay				J Med Chem 59: 3018-33 (2016) Article DOI: 10.1021/acs.jmedchem.5b01644 BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line				J Med Chem 47: 1329-38 (2004) Article DOI: 10.1021/jm031011g BindingDB Entry DOI: 10.7270/Q25Q4VH0
					More data for this Ligand-Target Pair