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BDBM50211830 5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL253997

SMILES: NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1

InChI Key: InChIKey=TWHYYPIAGPPMKW-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 = 50211830   
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 1


(Homo sapiens (Human))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50211830
PNG
(5-[3-(3,4-dichloro-phenyl)-ureido]-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C9H7Cl2N5O3S2/c10-5-2-1-4(3-6(5)11)13-7(17)14-8-15-16-9(20-8)21(12,18)19/h1-3H,(H2,12,18,19)(H2,13,14,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of bovin carbonic anhydrase 4


Bioorg Med Chem 15: 4336-50 (2007)


Article DOI: 10.1016/j.bmc.2007.04.020
BindingDB Entry DOI: 10.7270/Q28916QG
More data for this
Ligand-Target Pair