BDBM50168161 CHEMBL3805970

SMILES: N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=QFADDTASKZIHPQ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50168161   

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))	BDBM50168161 (CHEMBL3805970) Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	981	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) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50168161 (CHEMBL3805970) Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...				J Med Chem 59: 3018-33 (2016) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50168161 (CHEMBL3805970) Show SMILES N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(ncnc12)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C32H42N6/c33-22-28-29-31(38(27-16-10-3-4-11-17-27)30(28)26-14-8-1-2-9-15-26)32(35-24-34-29)37-20-18-36(19-21-37)23-25-12-6-5-7-13-25/h5-7,12-13,24,26-27H,1-4,8-11,14-21,23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.06E+3	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) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair