BDBM24514 4-nitrophenoxyphosphonic acid::4-nitrophenyl phosphate::CHEMBL24231::p-nitrophenyl phosphate

SMILES: OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=XZKIHKMTEMTJQX-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 8 PDB IDs match this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 5 hits for monomerid = 24514   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description The compound was evaluated for its binding affinity towards phosphotyrosine binding pocket of Src protein tryrosine kinase SH2 domain				Bioorg Med Chem Lett 12: 1295-8 (2002) BindingDB Entry DOI: 10.7270/Q2959GW0
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem Lett 20: 6208-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.110 BindingDB Entry DOI: 10.7270/Q24X581T
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.85E+7	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description Inhibitory activity against human serum paraoxonase (PON1)				Bioorg Med Chem Lett 13: 1623-6 (2003) BindingDB Entry DOI: 10.7270/Q23B60P7
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIII (Mus musculus (mouse))	BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method				Bioorg Med Chem Lett 20: 6208-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.110 BindingDB Entry DOI: 10.7270/Q24X581T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM24514 (4-nitrophenoxyphosphonic acid | 4-nitrophenyl phos...) Show SMILES OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem Lett 20: 6208-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.110 BindingDB Entry DOI: 10.7270/Q24X581T
					More data for this Ligand-Target Pair