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BDBM236554 4-(9-(2,4-Dichlorophenyl)-2,2,7,7-tetramethyl¿1,8-dioxo¿1,2,3,4,5,6,7,8-octahydro acridine¿10(9H)-yl)benzenesulfonamide (12)

SMILES: CC1(C)CCC2=C(C(C3=C(CCC(C)(C)C3=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2Cl)C1=O

InChI Key: InChIKey=HODMWZLXYWJFQY-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 236554   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM236554
PNG
(4-(9-(2,4-Dichlorophenyl)-2,2,7,7-tetramethyl¿1,8-...)
Show SMILES CC1(C)CCC2=C(C(C3=C(CCC(C)(C)C3=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C29H30Cl2N2O4S/c1-28(2)13-11-21-24(26(28)34)23(19-10-5-16(30)15-20(19)31)25-22(12-14-29(3,4)27(25)35)33(21)17-6-8-18(9-7-17)38(32,36)37/h5-10,15,23H,11-14H2,1-4H3,(H2,32,36,37)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
35n/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))
BDBM236554
PNG
(4-(9-(2,4-Dichlorophenyl)-2,2,7,7-tetramethyl¿1,8-...)
Show SMILES CC1(C)CCC2=C(C(C3=C(CCC(C)(C)C3=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C29H30Cl2N2O4S/c1-28(2)13-11-21-24(26(28)34)23(19-10-5-16(30)15-20(19)31)25-22(12-14-29(3,4)27(25)35)33(21)17-6-8-18(9-7-17)38(32,36)37/h5-10,15,23H,11-14H2,1-4H3,(H2,32,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
220n/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