BDBM50221777 CHEMBL352932

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[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=PQEPATWTHPDXHK-SWCAWLJVSA-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 = 50221777   

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)	BDBM50221777 (CHEMBL352932) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[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/C33H50N2O7/c1-19(4-13-30(39)34-28(18-36)31(40)20-5-8-22(9-6-20)35(41)42)25-11-12-26-24-10-7-21-16-23(37)14-15-32(21,2)27(24)17-29(38)33(25,26)3/h5-6,8-9,19,21,23-29,31,36-38,40H,4,7,10-18H2,1-3H3,(H,34,39)/t19-,21-,23-,24+,25-,26+,27+,28-,29+,31-,32+,33-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.55E+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