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BDBM50155546 CHEMBL445650::N-[4-({[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino}sulfonyl)phenyl]-2-(pentafluorophenyl)hydrazinecarbothioamide

SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1

InChI Key: InChIKey=XTLIGSXCHIJPDK-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50155546   
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))
BDBM50155546
PNG
(CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)
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PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5775-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.062
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50155546
PNG
(CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)
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PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5775-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.062
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50155546
PNG
(CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1
Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase IX


Bioorg Med Chem Lett 14: 5775-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.062
More data for this
Ligand-Target Pair