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BDBM50143809 CHEMBL3759757

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23

InChI Key: InChIKey=FROJFHCODSNRJI-UHFFFAOYSA-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 = 50143809   
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))
BDBM50143809
PNG
(CHEMBL3759757)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23
Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143809
PNG
(CHEMBL3759757)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23
Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair