BDBM50168164 CHEMBL3805611

SMILES: N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12

InChI Key: InChIKey=HYORLGVAHLPSFT-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 = 50168164   

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))	BDBM50168164 (CHEMBL3805611) Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80E+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 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))	BDBM50168164 (CHEMBL3805611) Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58E+4	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))	BDBM50168164 (CHEMBL3805611) Show SMILES N#Cc1c2CCCCn2c2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C18H17N5/c19-10-14-15-8-4-5-9-23(15)17-16(14)21-12-22-18(17)20-11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.42E+4	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