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SMILES: CCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1

InChI Key: InChIKey=AZKMYLXTBNYBKD-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 = 347386   
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))
BDBM347386
PNG
(US10869871, ID # SW208437 | US9789116, SW208437)
Show SMILES CCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H18N2OS3/c1-2-11-26(23)20-18(21)17-14(13-7-4-3-5-8-13)12-15(22-19(17)25-20)16-9-6-10-24-16/h3-10,12H,2,11,21H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.05n/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))
BDBM347386
PNG
(US10869871, ID # SW208437 | US9789116, SW208437)
Show SMILES CCCS(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
Show InChI InChI=1S/C20H18N2OS3/c1-2-11-26(23)20-18(21)17-14(13-7-4-3-5-8-13)12-15(22-19(17)25-20)16-9-6-10-24-16/h3-10,12H,2,11,21H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.05n/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