BindingDB logo
myBDB logout

null

SMILES: NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=RYZPGOBSXANNKH-RNIAWFEPSA-N

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 = 50251370   
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))
BDBM50251370
PNG
(CHEMBL4096555)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
646n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50251370
PNG
(CHEMBL4096555)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
934n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50251370
PNG
(CHEMBL4096555)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
5.12E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50251370
PNG
(CHEMBL4096555)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c21-29(25,26)19-9-5-17(6-10-19)23-13-15-1-2-16(4-3-15)14-24-18-7-11-20(12-8-18)30(22,27)28/h1-14H,(H2,21,25,26)(H2,22,27,28)/b23-13+,24-14+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
6.45E+3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Adiyaman University, 02040 Adiyaman, Turkey. Electronic address: akocaksuleyman@gmail.com.

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 10 mins by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 3093-3097 (2017)


Article DOI: 10.1016/j.bmc.2017.03.063
BindingDB Entry DOI: 10.7270/Q25T3NXJ
More data for this
Ligand-Target Pair