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BDBM50080672 2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetamide::CHEMBL122749

SMILES: NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O

InChI Key: InChIKey=VNCIQHZMLYJFBV-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 = 50080672   
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))
BDBM50080672
PNG
(2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetam...)
Show SMILES NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C8H11ClN4O5S2/c9-4-1-5(13-8(14)3-10)7(20(12,17)18)2-6(4)19(11,15)16/h1-2H,3,10H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase II (CA2)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50080672
PNG
(2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetam...)
Show SMILES NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C8H11ClN4O5S2/c9-4-1-5(13-8(14)3-10)7(20(12,17)18)2-6(4)19(11,15)16/h1-2H,3,10H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50080672
PNG
(2-Amino-N-(5-chloro-2,4-disulfamoyl-phenyl)-acetam...)
Show SMILES NCC(=O)Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C8H11ClN4O5S2/c9-4-1-5(13-8(14)3-10)7(20(12,17)18)2-6(4)19(11,15)16/h1-2H,3,10H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
360n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant carbonic anhydrase I (CA1)


J Med Chem 42: 3690-700 (1999)


Article DOI: 10.1021/jm9901879
BindingDB Entry DOI: 10.7270/Q26Q1XXC
More data for this
Ligand-Target Pair