BDBM50221746 CHEMBL354064

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=ZURSKPXGHWHAIT-VFTQBPFKSA-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 = 50221746   

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
Cytochrome P450 11A1 (Rattus norvegicus)	BDBM50221746 (CHEMBL354064) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C(O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C33H50N2O8/c1-18(4-11-29(40)34-26(17-36)31(41)19-5-7-21(8-6-19)35(42)43)23-9-10-24-30-25(16-28(39)33(23,24)3)32(2)13-12-22(37)14-20(32)15-27(30)38/h5-8,18,20,22-28,30-31,36-39,41H,4,9-17H2,1-3H3,(H,34,40)/t18-,20+,22-,23-,24+,25+,26-,27?,28+,30+,31-,32+,33-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Chemical Laboratory Curated by ChEMBL					Assay Description Antibacterial activity against gram positive bacteria Enterococcus faecalis was determined by twofold Micro-broth dilution assay				Bioorg Med Chem Lett 14: 773-7 (2004) BindingDB Entry DOI: 10.7270/Q2FJ2JZ3
					More data for this Ligand-Target Pair