BDBM97434 100873, 18::BPH-1375
SMILES: NC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(N)=O)cc(c1)C1=NCCN1
InChI Key: InChIKey=FNXIZGCMHLSQBQ-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
cis-Decaprenyl diphosphate synthase (cis-DPPS) (Mycobacterium tuberculosis H37Rv) | BDBM97434 (100873, 18 | BPH-1375) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.40E+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 | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM97434 (100873, 18 | BPH-1375) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.07E+4 | 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 |