BDBM153330 BPH-1165

SMILES: CCCCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)S(=O)(=O)N2CCN(CC2)C(C)=O)c1

InChI Key: InChIKey=PWRFZCFWQOLVDJ-UHFFFAOYSA-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 = 153330   

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)	BDBM153330 (BPH-1165) Show SMILES CCCCCCCCCCOc1cccc(COc2ccc(cc2C(O)=O)S(=O)(=O)N2CCN(CC2)C(C)=O)c1 Show InChI InChI=1S/C30H42N2O7S/c1-3-4-5-6-7-8-9-10-20-38-26-13-11-12-25(21-26)23-39-29-15-14-27(22-28(29)30(34)35)40(36,37)32-18-16-31(17-19-32)24(2)33/h11-15,21-22H,3-10,16-20,23H2,1-2H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+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