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SMILES: CCCCS(=O)c1sc2nc(cc(-c3cccc(CO)c3)c2c1N)-c1nccs1

InChI Key: InChIKey=IPUASUDWUJPHPE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347432   

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))	BDBM347432 (US10869871, ID # SW209418 | US9789116, SW209418) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cccc(CO)c3)c2c1N)-c1nccs1 Show InChI InChI=1S/C21H21N3O2S3/c1-2-3-9-29(26)21-18(22)17-15(14-6-4-5-13(10-14)12-25)11-16(24-20(17)28-21)19-23-7-8-27-19/h4-8,10-11,25H,2-3,9,12,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.29	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))	BDBM347432 (US10869871, ID # SW209418 | US9789116, SW209418) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cccc(CO)c3)c2c1N)-c1nccs1 Show InChI InChI=1S/C21H21N3O2S3/c1-2-3-9-29(26)21-18(22)17-15(14-6-4-5-13(10-14)12-25)11-16(24-20(17)28-21)19-23-7-8-27-19/h4-8,10-11,25H,2-3,9,12,22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.29	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