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BDBM236549 4-(9-(2,4-dimethoxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8-octahydroacridine-10(9H)-yl) benzenesulfonamide (7)

SMILES: COc1ccc(C2C3=C(CCCC3=O)N(C3=C2C(=O)CCC3)c2ccc(cc2)S(N)(=O)=O)c(OC)c1

InChI Key: InChIKey=LQMSVFCTKAMKOC-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 236549   
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 2


(Homo sapiens (Human))
BDBM236549
PNG
(4-(9-(2,4-dimethoxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7...)
Show SMILES COc1ccc(C2C3=C(CCCC3=O)N(C3=C2C(=O)CCC3)c2ccc(cc2)S(N)(=O)=O)c(OC)c1
Show InChI InChI=1S/C27H28N2O6S/c1-34-17-11-14-19(24(15-17)35-2)25-26-20(5-3-7-22(26)30)29(21-6-4-8-23(31)27(21)25)16-9-12-18(13-10-16)36(28,32)33/h9-15,25H,3-8H2,1-2H3,(H2,28,32,33)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
Esterase activities of hCA I and hCA II isoenzymes, eluted from affinity column,were determined by hydrolysis of p-nitrophenylacetate. The change of ...


J Enzyme Inhib Med Chem 27: 509-14 (2012)


Article DOI: 10.3109/14756366.2011.599029
BindingDB Entry DOI: 10.7270/Q27W6B3H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM236549
PNG
(4-(9-(2,4-dimethoxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7...)
Show SMILES COc1ccc(C2C3=C(CCCC3=O)N(C3=C2C(=O)CCC3)c2ccc(cc2)S(N)(=O)=O)c(OC)c1
Show InChI InChI=1S/C27H28N2O6S/c1-34-17-11-14-19(24(15-17)35-2)25-26-20(5-3-7-22(26)30)29(21-6-4-8-23(31)27(21)25)16-9-12-18(13-10-16)36(28,32)33/h9-15,25H,3-8H2,1-2H3,(H2,28,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
15n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
Esterase activities of hCA I and hCA II isoenzymes, eluted from affinity column,were determined by hydrolysis of p-nitrophenylacetate. The change of ...


J Enzyme Inhib Med Chem 27: 509-14 (2012)


Article DOI: 10.3109/14756366.2011.599029
BindingDB Entry DOI: 10.7270/Q27W6B3H
More data for this
Ligand-Target Pair