BDBM16295 4PP::5-Butyl-2-phenoxy-phenol::5-butyl-2-phenoxyphenol::AIDS227444

SMILES: CCCCc1ccc(Oc2ccccc2)c(O)c1

InChI Key: InChIKey=GAICIHBRANQBDZ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 16295   

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
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16295 (4PP | 5-Butyl-2-phenoxy-phenol | 5-butyl-2-phenoxy...) Show SMILES CCCCc1ccc(Oc2ccccc2)c(O)c1 Show InChI InChI=1S/C16H18O2/c1-2-3-7-13-10-11-16(15(17)12-13)18-14-8-5-4-6-9-14/h4-6,8-12,17H,2-3,7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair