BindingDB logo
myBDB logout

null

SMILES: COC(=O)C(\N=N\c1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=AHXVHRAEUYRHGN-ULDVOPSXSA-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 2 hits for monomerid = 193747   
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))
BDBM193747
PNG
(Methyl 2-((3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3,4-...)
Show SMILES COC(=O)C(\N=N\c1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H24N12O10S5/c1-52-26(45)25(55(46,47)19-13-6-3-7-14-19)36-35-17-11-8-12-18(15-17)42-22(16-9-4-2-5-10-16)20(23(43)33-27-37-39-29(53-27)56(31,48)49)21(41-42)24(44)34-28-38-40-30(54-28)57(32,50)51/h2-15,25H,1H3,(H2,31,48,49)(H2,32,50,51)(H,33,37,43)(H,34,38,44)/b36-35+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
92n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...


Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM193747
PNG
(Methyl 2-((3-(5-phenyl-3,4-bis((5-sulfamoyl-1,3,4-...)
Show SMILES COC(=O)C(\N=N\c1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)Nc2nnc(s2)S(N)(=O)=O)c1-c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C30H24N12O10S5/c1-52-26(45)25(55(46,47)19-13-6-3-7-14-19)36-35-17-11-8-12-18(15-17)42-22(16-9-4-2-5-10-16)20(23(43)33-27-37-39-29(53-27)56(31,48)49)21(41-42)24(44)34-28-38-40-30(54-28)57(32,50)51/h2-15,25H,1H3,(H2,31,48,49)(H2,32,50,51)(H,33,37,43)(H,34,38,44)/b36-35+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
318n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
CA activity was measured according to the method described by Verpoorte et al. in inhibition studies, spectrophotometrically [Biochem., 242:4221-4229...


Bioorg Chem 68: 64-71 (2016)


Article DOI: 10.1016/j.bioorg.2016.07.006
BindingDB Entry DOI: 10.7270/Q2N29VQC
More data for this
Ligand-Target Pair