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SMILES: NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1

InChI Key: InChIKey=RGWNQSADZSXKAQ-GHXDRDLLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50490461   
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))
BDBM50490461
PNG
(CHEMBL2325979)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1 |r|
Show InChI InChI=1S/C17H27N5O7S2/c18-31(28,29)17-22-21-16(30-17)20-14(25)9-19-8-11-10(12(23)7-13(11)24)5-3-1-2-4-6-15(26)27/h1,3,10-13,19,23-24H,2,4-9H2,(H,26,27)(H2,18,28,29)(H,20,21,25)/b3-1-/t10-,11-,12+,13-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay


Bioorg Med Chem Lett 23: 939-43 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54
More data for this
Ligand-Target Pair
Prostaglandin F2-alpha receptor


(MOUSE)
BDBM50490461
PNG
(CHEMBL2325979)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CNC[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O)s1 |r|
Show InChI InChI=1S/C17H27N5O7S2/c18-31(28,29)17-22-21-16(30-17)20-14(25)9-19-8-11-10(12(23)7-13(11)24)5-3-1-2-4-6-15(26)27/h1,3,10-13,19,23-24H,2,4-9H2,(H,26,27)(H2,18,28,29)(H,20,21,25)/b3-1-/t10-,11-,12+,13-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<5.01E+3n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR


Bioorg Med Chem Lett 23: 939-43 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.058
BindingDB Entry DOI: 10.7270/Q2VM4G54
More data for this
Ligand-Target Pair