BDBM50235468 CHEMBL4073585

SMILES: Cc1ccc(cc1)-c1cc2c(NC(c3ccc4OCCc4c3)P(O)(O)=O)ncnc2s1

InChI Key: InChIKey=ORNKDTLGUAHCGN-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches 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 = 50235468   

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))	BDBM50235468 (CHEMBL4073585) Show SMILES Cc1ccc(cc1)-c1cc2c(NC(c3ccc4OCCc4c3)P(O)(O)=O)ncnc2s1 Show InChI InChI=1S/C22H20N3O4PS/c1-13-2-4-14(5-3-13)19-11-17-20(23-12-24-22(17)31-19)25-21(30(26,27)28)16-6-7-18-15(10-16)8-9-29-18/h2-7,10-12,21H,8-9H2,1H3,(H,23,24,25)(H2,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human recombinant FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [3H]-IPP as substrate preincubated ...				J Med Chem 60: 2119-2134 (2017) Article DOI: 10.1021/acs.jmedchem.6b01888 BindingDB Entry DOI: 10.7270/Q23F4RXR
					More data for this Ligand-Target Pair				3D Structure (crystal)