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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50330330   
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))
BDBM50330330
PNG
(CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...)
Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6|
Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.17E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50330330
PNG
(CHEMBL1276020 | Ethyl1-(3-(2-(1-ethoxy-1,3-dioxo-3...)
Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)OCC)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6|
Show InChI InChI=1S/C32H28N8O8S2/c1-3-47-29(43)23-24(28(42)34-31-37-38-32(49-31)50(33,45)46)39-40(26(23)19-12-7-5-8-13-19)22-17-11-16-21(18-22)35-36-25(30(44)48-4-2)27(41)20-14-9-6-10-15-20/h5-18,35H,3-4H2,1-2H3,(H2,33,45,46)(H,34,37,42)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.92E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis


Eur J Med Chem 45: 4769-73 (2010)


Article DOI: 10.1016/j.ejmech.2010.07.041
BindingDB Entry DOI: 10.7270/Q2X06796
More data for this
Ligand-Target Pair