BDBM50116021 CHEMBL3612145

SMILES: CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12

InChI Key: InChIKey=UYILUSSVEGEAPA-CIMHSGBFSA-N

Data: 1 KI

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 1 hit for monomerid = 50116021   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116021 (CHEMBL3612145) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C26H26ClN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-14-17(27)7-8-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair