BDBM50135835 (isoquinolin-1-ylamino)methylenediphosphonic acid::1-[(Bis-phosphono-methyl)-amino]-isoquinolinium::CHEMBL291727::[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
SMILES: OP(O)(=O)C(Nc1nccc2ccccc12)P(O)(O)=O
InChI Key: InChIKey=JPVMIOWESIQIGB-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 |
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Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand | J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preinc... | J Med Chem 54: 4721-34 (2011) Article DOI: 10.1021/jm200363d BindingDB Entry DOI: 10.7270/Q2NK3FCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 427 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) | J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine Curated by ChEMBL | Assay Description Inhibition of Escherichia coli DXR | ACS Med Chem Lett 2: 165-170 (2011) Article DOI: 10.1021/ml100243r BindingDB Entry DOI: 10.7270/Q2XD12NV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Farnesyl diphosphate synthase (Homo sapiens (Human)) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase was determined | J Med Chem 46: 5171-83 (2003) Article DOI: 10.1021/jm0302344 BindingDB Entry DOI: 10.7270/Q24M93Z8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7)) | BDBM50135835![]() ((isoquinolin-1-ylamino)methylenediphosphonic acid ...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibitory activity against Leishmania major Farnesyl diphosphate synthase | J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5 | |||||||||||
More data for this Ligand-Target Pair |