new BindingDB logo
myBDB logout

BDBM50442514 CHEMBL2440435

SMILES: OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O

InChI Key: InChIKey=SENUMOHBDKDZCG-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 = 50442514   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.83E+3n/an/an/an/an/an/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))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(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/an/a>1.00E+4n/an/an/an/an/an/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))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(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/an/a 92n/an/an/an/an/an/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))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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))
BDBM50442514
PNG
(CHEMBL2440435)
Show SMILES OP(O)(=O)C(Nc1cccc(c1)C(F)(F)F)P(O)(O)=O
Show InChI InChI=1S/C8H10F3NO6P2/c9-8(10,11)5-2-1-3-6(4-5)12-7(19(13,14)15)20(16,17)18/h1-4,7,12H,(H2,13,14,15)(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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