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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50101343   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

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PubMed
85n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
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PubMed
200n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine Carbonic anhydrase IV


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50101343
PNG
((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
500n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair