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BDBM50143811 CHEMBL3759464

SMILES: CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=XYEWQCLAORPMAF-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 = 50143811   
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))
BDBM50143811
PNG
(CHEMBL3759464)
Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.30n/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))
BDBM50143811
PNG
(CHEMBL3759464)
Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
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