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SMILES: CCCCS(=O)c1sc2nc(cc(-c3cnc(C4CC4)n3C)c2c1N)-c1nccs1

InChI Key: InChIKey=CLFZOSJHLFNVCB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347444   

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))	BDBM347444 (US10869871, ID # SW212345 | US9789116, SW212345) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cnc(C4CC4)n3C)c2c1N)-c1nccs1 Show InChI InChI=1S/C21H23N5OS3/c1-3-4-9-30(27)21-17(22)16-13(15-11-24-18(26(15)2)12-5-6-12)10-14(25-20(16)29-21)19-23-7-8-28-19/h7-8,10-12H,3-6,9,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.99	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))	BDBM347444 (US10869871, ID # SW212345 | US9789116, SW212345) Show SMILES CCCCS(=O)c1sc2nc(cc(-c3cnc(C4CC4)n3C)c2c1N)-c1nccs1 Show InChI InChI=1S/C21H23N5OS3/c1-3-4-9-30(27)21-17(22)16-13(15-11-24-18(26(15)2)12-5-6-12)10-14(25-20(16)29-21)19-23-7-8-28-19/h7-8,10-12H,3-6,9,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.99	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