BDBM50235430 CHEMBL4074751

SMILES: [H][C@]12C\C(=N/NC(=O)OCc3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC

InChI Key: InChIKey=AVHYJJJTZPPAQL-KLRCYVJUSA-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 = 50235430   

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))	BDBM50235430 (CHEMBL4074751) Show SMILES [H][C@]12C\C(=N/NC(=O)OCc3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r| Show InChI InChI=1S/C30H36N4O5/c1-5-19-16-34(2)26-15-23-21-8-6-7-9-24(21)31-28(23)25(14-22(19)27(26)29(35)38-4)32-33-30(36)39-17-18-10-12-20(37-3)13-11-18/h6-13,19,22,26-27,31H,5,14-17H2,1-4H3,(H,33,36)/b32-25+/t19-,22+,26-,27-/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	5.23E+4	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