BDBM50138035 (biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate::(biphenyl-4-ylamino)methylenediphosphonic acid::BPH-217::CHEMBL293479::[(Biphenyl-4-ylamino)-phosphono-methyl]-phosphonic acid
SMILES: OP(O)(=O)C(Nc1ccc(cc1)-c1ccccc1)P(O)(O)=O
InChI Key: InChIKey=BHTYFFISFVNOLJ-UHFFFAOYSA-N
Data: 8 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 |
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cis-Decaprenyl diphosphate synthase (cis-DPPS) (Mycobacterium tuberculosis H37Rv) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.60E+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 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ... | 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 | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 1941-3 (2014) Article DOI: 10.1016/j.bmcl.2014.03.001 BindingDB Entry DOI: 10.7270/Q2PV6MWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 1941-3 (2014) Article DOI: 10.1016/j.bmcl.2014.03.001 BindingDB Entry DOI: 10.7270/Q2PV6MWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate... | Bioorg Med Chem 21: 6456-65 (2013) Article DOI: 10.1016/j.bmc.2013.08.054 BindingDB Entry DOI: 10.7270/Q2222W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 1941-3 (2014) Article DOI: 10.1016/j.bmcl.2014.03.001 BindingDB Entry DOI: 10.7270/Q2PV6MWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase XIV (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 1941-3 (2014) Article DOI: 10.1016/j.bmcl.2014.03.001 BindingDB Entry DOI: 10.7270/Q2PV6MWT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.55E+5 | 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 recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli | J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50138035 ((biphenyl-4-yl)-aminomethylene-1,1-bisphosphonate ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi 'Aldo Moro' di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method | Bioorg Med Chem Lett 24: 1941-3 (2014) Article DOI: 10.1016/j.bmcl.2014.03.001 BindingDB Entry DOI: 10.7270/Q2PV6MWT | |||||||||||
More data for this Ligand-Target Pair |