BDBM50221774 CHEMBL353406

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)c1ccccc1

InChI Key: InChIKey=BNLQLRVBSTYHMT-MAIMVIFJSA-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 = 50221774   

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)	BDBM50221774 (CHEMBL353406) 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)c1ccccc1 Show InChI InChI=1S/C33H51NO6/c1-19(9-12-29(39)34-26(18-35)31(40)20-7-5-4-6-8-20)23-10-11-24-30-25(17-28(38)33(23,24)3)32(2)14-13-22(36)15-21(32)16-27(30)37/h4-8,19,21-28,30-31,35-38,40H,9-18H2,1-3H3,(H,34,39)/t19-,21+,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 Similars	PubMed	n/a	n/a	7.17E+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