BDBM50056295 CHEMBL3317921

SMILES: COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1

InChI Key: InChIKey=FXBDLRLOFDUIGF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50056295   

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))	BDBM50056295 (CHEMBL3317921) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1 Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50056295 (CHEMBL3317921) Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1 Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay				J Med Chem 57: 6403-18 (2014) Article DOI: 10.1021/jm500697c BindingDB Entry DOI: 10.7270/Q2G162GP
					More data for this Ligand-Target Pair