BDBM97430 50460, 14::BPH-1358
SMILES: O=C(Nc1cccc(c1)C1=NCCN1)c1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C1=NCCN1
InChI Key: InChIKey=HOYOJUMMRGKESB-UHFFFAOYSA-N
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)) | BDBM97430 (50460, 14 | BPH-1358) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | 7.4 | 25 |
University of California San Diego | Assay Description Human FPPS was expressed and purified and inhibition assays carried out as described previously. | Chem Biol Drug Des 81: 742-8 (2013) Article DOI: 10.1111/cbdd.12121 BindingDB Entry DOI: 10.7270/Q29S1PPZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM97430 (50460, 14 | BPH-1358) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assay | ACS Med Chem Lett 6: 349-54 (2015) Article DOI: 10.1021/ml500528x BindingDB Entry DOI: 10.7270/Q2251KW1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Tuberculosinyl adenosine synthase (Rv3378c) (Mycobacterium tuberculosis H37Rv) | BDBM97430 (50460, 14 | BPH-1358) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 9.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego | Assay Description For inhibition assay of Rv3378c, using tuberculosinyl diphosphate and adenosine as substrates, a mixture of 100 µM TPP, 100 µM adenosine,75 µg/mL Rv3... | 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 |