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BDBM193740 1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl)phenyl)-5-phenyl-N3,N4-bis(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-1Hpyrazole-3,4-dicarboxamide (8)

SMILES: [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1

InChI Key: InChIKey=MLQNOCCJNGDKOU-UHFFFAOYSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 193740   
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))
BDBM193740
PNG
(1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hy...)
Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1
Show InChI InChI=1S/C36H26N12O8S4/c37-59(53,54)35-45-43-33(57-35)39-31(51)25-26(32(52)40-34-44-46-36(58-34)60(38,55)56)47-48(28(25)20-11-4-1-5-12-20)24-18-10-17-23(19-24)41-42-27(29(49)21-13-6-2-7-14-21)30(50)22-15-8-3-9-16-22/h1-19,41H,(H2,37,53,54)(H2,38,55,56)(H,39,43,51)(H,40,44,52)
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Similars

Article
PubMed
878n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...


Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM193740
PNG
(1-(3-(2-(1,3-Dioxo-1,3-diphenylpropan-2-ylidene)hy...)
Show SMILES [#7]S(=O)(=O)c1nnc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](=O)-[#7]-c2nnc(s2)S([#7])(=O)=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](/[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)s1
Show InChI InChI=1S/C36H26N12O8S4/c37-59(53,54)35-45-43-33(57-35)39-31(51)25-26(32(52)40-34-44-46-36(58-34)60(38,55)56)47-48(28(25)20-11-4-1-5-12-20)24-18-10-17-23(19-24)41-42-27(29(49)21-13-6-2-7-14-21)30(50)22-15-8-3-9-16-22/h1-19,41H,(H2,37,53,54)(H2,38,55,56)(H,39,43,51)(H,40,44,52)
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antibodypedia
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PC sid
UniChem

Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...


Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair