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BDBM50174033 CHEMBL193825::N-[4-(4-Sulfamoyl-phenylamino)-cyclohexa-2,4-dienyl]-acetamide

SMILES: CC(=O)Nc1ccc(Nc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=CUBGOIMLFMYWDC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50174033   
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 9


(Homo sapiens (Human))
BDBM50174033
PNG
(CHEMBL193825 | N-[4-(4-Sulfamoyl-phenylamino)-cycl...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-10(18)16-11-2-4-12(5-3-11)17-13-6-8-14(9-7-13)21(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)
PDB
MMDB

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KEGG

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PC sid
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Article
PubMed
37n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase IX (hCA IX)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174033
PNG
(CHEMBL193825 | N-[4-(4-Sulfamoyl-phenylamino)-cycl...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-10(18)16-11-2-4-12(5-3-11)17-13-6-8-14(9-7-13)21(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)
PDB
MMDB

Reactome pathway
KEGG

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PC sid
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Article
PubMed
76n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase XII (hCA XII)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174033
PNG
(CHEMBL193825 | N-[4-(4-Sulfamoyl-phenylamino)-cycl...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-10(18)16-11-2-4-12(5-3-11)17-13-6-8-14(9-7-13)21(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)
PDB
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Reactome pathway
KEGG

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Article
PubMed
82n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174033
PNG
(CHEMBL193825 | N-[4-(4-Sulfamoyl-phenylamino)-cycl...)
Show SMILES CC(=O)Nc1ccc(Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H15N3O3S/c1-10(18)16-11-2-4-12(5-3-11)17-13-6-8-14(9-7-13)21(15,19)20/h2-9,17H,1H3,(H,16,18)(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
245n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitiory activity against human Carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 15: 4862-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.048
BindingDB Entry DOI: 10.7270/Q2NK3DMJ
More data for this
Ligand-Target Pair