BDBM347416 US10869871, ID # SW209276::US9789116, SW209276

SMILES: COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1

InChI Key: InChIKey=PBTGGQJQYAZQLT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 347416   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM347416 (US10869871, ID # SW209276 | US9789116, SW209276) Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1 Show InChI InChI=1S/C21H20N2O2S3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17/h2-5,7-9,11,13H,6,10,12,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.09	n/a	n/a	n/a	n/a	n/a	n/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
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM347416 (US10869871, ID # SW209276 | US9789116, SW209276) Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1 Show InChI InChI=1S/C21H20N2O2S3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17/h2-5,7-9,11,13H,6,10,12,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.09	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM347416 (US10869871, ID # SW209276 | US9789116, SW209276) Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1 Show InChI InChI=1S/C21H20N2O2S3/c1-25-10-6-12-28(24)21-19(22)18-15(14-7-3-2-4-8-14)13-16(23-20(18)27-21)17-9-5-11-26-17/h2-5,7-9,11,13H,6,10,12,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
					More data for this Ligand-Target Pair