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BDBM50018628 CHEMBL3291003

SMILES: OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O

InChI Key: InChIKey=DZEUVTPRJSYTQV-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 = 50018628   
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))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
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PubMed
n/an/a 6.05E+3n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
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PubMed
n/an/a 278n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50018628
PNG
(CHEMBL3291003)
Show SMILES OP(O)(=O)C(NC(=O)c1ccc(Br)cc1)P(O)(O)=O
Show InChI InChI=1S/C8H10BrNO7P2/c9-6-3-1-5(2-4-6)7(11)10-8(18(12,13)14)19(15,16)17/h1-4,8H,(H,10,11)(H2,12,13,14)(H2,15,16,17)
PDB
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Reactome pathway
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UniChem

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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP-2 pretreated for 30 mins measured 2 to 4 hrs after Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition by fluo...


Bioorg Med Chem Lett 24: 2617-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.077
BindingDB Entry DOI: 10.7270/Q2GB25KV
More data for this
Ligand-Target Pair