BDBM50442511 CHEMBL2440434

SMILES: OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O

InChI Key: InChIKey=GSMGLRFAXIPFLS-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50442511   

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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.54E+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 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))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.81E+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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50442511 (CHEMBL2440434) Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)[N+]([O-])=O)P(O)(O)=O Show InChI InChI=1S/C7H9FN2O8P2/c8-5-2-1-4(3-6(5)10(11)12)9-7(19(13,14)15)20(16,17)18/h1-3,7,9H,(H2,13,14,15)(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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