BDBM50410913 CHEMBL209128

SMILES: COc1ccc(CCN(C)CCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC

InChI Key: InChIKey=SQDWWHCSJBNTLV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50410913   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50410913 (CHEMBL209128) Show SMILES COc1ccc(CCN(C)CCN2C(=O)C3C(C4c5ccccc5C3c3ccccc43)C2=O)cc1OC |TLB:19:18:30.25:16.15,29:30:23.18:16.15,THB:13:15:23.18:30.25,22:23:30.25:16.15,31:16:23.18:30.25,(8.02,-24.19,;8.37,-22.92,;7.45,-21.98,;6.17,-22.31,;5.26,-21.37,;5.62,-20.11,;4.7,-19.17,;3.42,-19.49,;2.5,-18.55,;2.86,-17.28,;1.23,-18.88,;.31,-17.93,;-.96,-18.26,;-1.45,-19.48,;-.19,-19.14,;-2.76,-19.4,;-3.09,-18.12,;-3.4,-19.91,;-5.11,-20.41,;-6.44,-19.64,;-7.77,-20.41,;-7.77,-21.96,;-6.44,-22.73,;-5.09,-21.95,;-3.31,-21.45,;-1.9,-22.34,;-.5,-23.03,;.81,-22.16,;.7,-20.59,;-.71,-19.9,;-2.01,-20.77,;-1.98,-17.42,;-1.89,-16.11,;6.88,-19.77,;7.8,-20.71,;9.08,-20.38,;10.01,-21.32,)| Show InChI InChI=1S/C31H32N2O4/c1-32(15-14-19-12-13-24(36-2)25(18-19)37-3)16-17-33-30(34)28-26-20-8-4-5-9-21(20)27(29(28)31(33)35)23-11-7-6-10-22(23)26/h4-13,18,26-29H,14-17H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Antiproliferative activity against human MDR1 transfected mouse L5178Y cell line				J Med Chem 49: 3049-51 (2006) Article DOI: 10.1021/jm060056p BindingDB Entry DOI: 10.7270/Q2CC11W8
					More data for this Ligand-Target Pair