BDBM153329 BPH-1311

SMILES: CCCCCCCCOc1cc(O)cc(COc2ccc(Br)cc2C(O)=O)c1

InChI Key: InChIKey=MYKDVHRFLXLQPM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 153329   

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
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153329 (BPH-1311) Show SMILES CCCCCCCCOc1cc(O)cc(COc2ccc(Br)cc2C(O)=O)c1 Show InChI InChI=1S/C22H27BrO5/c1-2-3-4-5-6-7-10-27-19-12-16(11-18(24)14-19)15-28-21-9-8-17(23)13-20(21)22(25)26/h8-9,11-14,24H,2-7,10,15H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 19 compounds using cis-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DP...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair
Decaprenyl diphosphate synthase (Mycobacterium tuberculosis H37Rv)	BDBM153329 (BPH-1311) Show SMILES CCCCCCCCOc1cc(O)cc(COc2ccc(Br)cc2C(O)=O)c1 Show InChI InChI=1S/C22H27BrO5/c1-2-3-4-5-6-7-10-27-19-12-16(11-18(24)14-19)15-28-21-9-8-17(23)13-20(21)22(25)26/h8-9,11-14,24H,2-7,10,15H2,1H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California San Diego					Assay Description We screened an in-house library of 43 compounds using GPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by DPPS w...				Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN
					More data for this Ligand-Target Pair