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BDBM50396803 CHEMBL2172746

SMILES: C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1

InChI Key: InChIKey=DFBCBGRDZHMYBK-ZETCQYMHSA-N

Data: 5 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 5 hits for monomerid = 50396803   
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 12


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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Article
PubMed
n/an/a 6.64E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
PDB
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Article
PubMed
n/an/a 6.36E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
PDB
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
PDB
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Article
PubMed
n/an/a 5.31E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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/an/a 9.45E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
BindingDB Entry DOI: 10.7270/Q23T9JBB
More data for this
Ligand-Target Pair