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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50068111   
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))
BDBM50068111
PNG
(CHEMBL3402244)
Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6|
Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/m0/s1
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PC cid
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Similars

Article
PubMed
134n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50068111
PNG
(CHEMBL3402244)
Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6|
Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
186n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair