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BDBM347399 US10869871, ID # SW208777::US9789116, SW208777

SMILES: CCCCS(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1

InChI Key: InChIKey=QAYSBRSJKABRMX-UHFFFAOYSA-N

Data: 2 IC50

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 = 347399   
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))
BDBM347399
PNG
(US10869871, ID # SW208777 | US9789116, SW208777)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3
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 2.65n/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))
BDBM347399
PNG
(US10869871, ID # SW208777 | US9789116, SW208777)
Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cccnc3)c2c1N)-c1nccs1
Show InChI InChI=1S/C19H18N4OS3/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17/h4-8,10-11H,2-3,9,20H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.65n/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