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SMILES: CCCCS(=O)c1sc2nc(cc(-c3ccc(OCCO)cc3)c2c1N)-c1nccs1

InChI Key: InChIKey=DDVTXKLEPJCEAF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347446   

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))	BDBM347446 (US10869871, ID # SW212364 | US9789116, SW212364) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccc(OCCO)cc3)c2c1N)-c1nccs1 Show InChI InChI=1S/C22H23N3O3S3/c1-2-3-12-31(27)22-19(23)18-16(14-4-6-15(7-5-14)28-10-9-26)13-17(25-21(18)30-22)20-24-8-11-29-20/h4-8,11,13,26H,2-3,9-10,12,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.97	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))	BDBM347446 (US10869871, ID # SW212364 | US9789116, SW212364) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3ccc(OCCO)cc3)c2c1N)-c1nccs1 Show InChI InChI=1S/C22H23N3O3S3/c1-2-3-12-31(27)22-19(23)18-16(14-4-6-15(7-5-14)28-10-9-26)13-17(25-21(18)30-22)20-24-8-11-29-20/h4-8,11,13,26H,2-3,9-10,12,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.97	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