BindingDB logo
myBDB logout

BDBM50204560 CHEMBL3955905

SMILES: COc1ccc(\C=C\C(=O)c2ccc(O)c(c2)\N=N\c2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=IXFKUSLACZWYCA-ZIKFJQPQSA-N

Data: 2 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 2 hits for monomerid = 50204560   
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))
BDBM50204560
PNG
(CHEMBL3955905)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)c(c2)\N=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19N3O5S/c1-30-18-8-2-15(3-9-18)4-12-21(26)16-5-13-22(27)20(14-16)25-24-17-6-10-19(11-7-17)31(23,28)29/h2-14,27H,1H3,(H2,23,28,29)/b12-4+,25-24+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Giresun University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 3 mins by spectrophotometric analysis


Bioorg Med Chem Lett 26: 5867-5870 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.017
BindingDB Entry DOI: 10.7270/Q28917VP
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50204560
PNG
(CHEMBL3955905)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)c(c2)\N=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C22H19N3O5S/c1-30-18-8-2-15(3-9-18)4-12-21(26)16-5-13-22(27)20(14-16)25-24-17-6-10-19(11-7-17)31(23,28)29/h2-14,27H,1H3,(H2,23,28,29)/b12-4+,25-24+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
55n/an/an/an/an/an/an/an/a



Giresun University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 3 mins by spectrophotometric analysis


Bioorg Med Chem Lett 26: 5867-5870 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.017
BindingDB Entry DOI: 10.7270/Q28917VP
More data for this
Ligand-Target Pair