BDBM50237988 CHEMBL4096072

SMILES: [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1

InChI Key: InChIKey=IGIUCUCCIXTMSG-ZSOIEALJSA-J

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 = 50237988   

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
Farnesyl diphosphate synthase (Homo sapiens (Human))	BDBM50237988 (CHEMBL4096072) Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-6-9-14(3)8-4-5-10-19-12-15(17-18-19)11-16(26(20,21)22)27(23,24)25/h7-8,12,16H,4-6,9-11H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant FDPS (unknown origin) using GPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presenc...				Bioorg Med Chem 25: 2437-2444 (2017) Article DOI: 10.1016/j.bmc.2017.02.066 BindingDB Entry DOI: 10.7270/Q27H1MV0
					More data for this Ligand-Target Pair
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM50237988 (CHEMBL4096072) Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 Show InChI InChI=1S/C16H29N3O6P2/c1-13(2)7-6-9-14(3)8-4-5-10-19-12-15(17-18-19)11-16(26(20,21)22)27(23,24)25/h7-8,12,16H,4-6,9-11H2,1-3H3,(H2,20,21,22)(H2,23,24,25)/p-4/b14-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibition of recombinant GGDPS (unknown origin) using FPP as substrate pretreated for 10 mins followed by substrate addition after 30 mins in presen...				Bioorg Med Chem 25: 2437-2444 (2017) Article DOI: 10.1016/j.bmc.2017.02.066 BindingDB Entry DOI: 10.7270/Q27H1MV0
					More data for this Ligand-Target Pair