BDBM95652 (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester::(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester::MLS002161817::SMR001244235::[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate::[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate::cid_16247418

SMILES: COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc2OCOc2c1

InChI Key: InChIKey=IGBQCXWMBXWLBG-NRFANRHFSA-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 = 95652   

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
nuclear receptor subfamily 5 group A member 2 isoform 2 (Homo sapiens (Human))	BDBM95652 ((2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-buty...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N2O8/c1-13(2)21(25-22(27)14-7-16(29-3)10-17(8-14)30-4)23(28)31-11-20(26)24-15-5-6-18-19(9-15)33-12-32-18/h5-10,13,21H,11-12H2,1-4H3,(H,24,26)(H,25,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q22F7M18
					More data for this Ligand-Target Pair