BDBM50235436 CHEMBL4098642

SMILES: [H][C@]12C[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC

InChI Key: InChIKey=PISDEEMTHYVPRS-APUCHXRISA-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 = 50235436   

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))	BDBM50235436 (CHEMBL4098642) Show SMILES [H][C@]12C[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r,TLB:5:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13| Show InChI InChI=1S/C32H42N2O4/c1-4-21-17-34(2)26-12-24-22-7-5-6-8-25(22)33-29(24)27(13-23(21)28(26)30(35)37-3)38-31(36)32-14-18-9-19(15-32)11-20(10-18)16-32/h5-8,18-21,23,26-28,33H,4,9-17H2,1-3H3/t18?,19?,20?,21-,23-,26+,27+,28+,32?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay				Eur J Med Chem 128: 247-257 (2017) Article DOI: 10.1016/j.ejmech.2017.01.044 BindingDB Entry DOI: 10.7270/Q2BV7JVT
					More data for this Ligand-Target Pair