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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50330334   
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))
BDBM50330334
PNG
(CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)
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PC cid
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Similars

Article
PubMed
230n/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))
BDBM50330334
PNG
(CHEMBL1276024 | Ethyl1-(2-methyl-1-(2-oxopropyl)-1...)
Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc2n(CC(C)=O)c(C)cc12)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C27H25N7O6S2/c1-4-40-25(37)21-22(24(36)29-26-30-31-27(41-26)42(28,38)39)32-34(23(21)17-9-6-5-7-10-17)20-12-8-11-19-18(20)13-15(2)33(19)14-16(3)35/h5-13H,4,14H2,1-3H3,(H2,28,38,39)(H,29,30,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
380n/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