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SMILES: CC(C)S(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1

InChI Key: InChIKey=YAKWNMCEXAHGMA-UHFFFAOYSA-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 = 347400   
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
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347400
PNG
(US10869871, ID # SW208778 | US9789116, SW208778)
Show SMILES CC(C)S(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C18H16N4OS3/c1-10(2)26(23)18-15(19)14-12(11-4-3-5-20-9-11)8-13(22-17(14)25-18)16-21-6-7-24-16/h3-10H,19H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.99n/an/an/an/an/an/a



CASE WESTERN RESERVE UNIVERSITY; THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM

US Patent


Assay Description
Assays were done by measuring the transfer of tritium from 15(S)-[15-3H] PGE2 to glutamate (at 1 μM PGE2 substrate), or by direct fluorescence m...


US Patent US10869871 (2020)

More data for this
Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD(+)]


(Homo sapiens (Human))
BDBM347400
PNG
(US10869871, ID # SW208778 | US9789116, SW208778)
Show SMILES CC(C)S(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C18H16N4OS3/c1-10(2)26(23)18-15(19)14-12(11-4-3-5-20-9-11)8-13(22-17(14)25-18)16-21-6-7-24-16/h3-10H,19H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.99n/an/an/an/an/an/a



Case Western Reserve University; Board of Regents of the University of Texas System

US Patent


Assay Description
Each compound for inhibiting enzymatic activity of recombinant 15-PGDH in an in vitro assay.


US Patent US9789116 (2017)


BindingDB Entry DOI: 10.7270/Q2VQ34T5
More data for this
Ligand-Target Pair