BDBM50235448 CHEMBL4070955

SMILES: [H][C@]12C\C(=N/NC(N)=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC

InChI Key: InChIKey=MOELFRFATZRRGM-ILTGRRBKSA-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 = 50235448   

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))	BDBM50235448 (CHEMBL4070955) Show SMILES [H][C@]12C\C(=N/NC(N)=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r| Show InChI InChI=1S/C22H29N5O3/c1-4-12-11-27(2)18-10-15-13-7-5-6-8-16(13)24-20(15)17(25-26-22(23)29)9-14(12)19(18)21(28)30-3/h5-8,12,14,18-19,24H,4,9-11H2,1-3H3,(H3,23,26,29)/b25-17+/t12-,14+,18-,19-/m0/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