BDBM50438422 CHEMBL2414141::US8637558, 94

SMILES: CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)cc1Cl

InChI Key: InChIKey=DIPDCPKDIYHJPG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50438422   

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))	BDBM50438422 (CHEMBL2414141 | US8637558, 94) Show SMILES CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)cc1Cl |w:11.10,c:15| Show InChI InChI=1S/C15H16ClNO4S/c1-9(2)20-5-6-21-12-4-3-10(7-11(12)16)8-13-14(18)17-15(19)22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	7.5	n/a
Industry-Academic Cooperation Foundation, Chosun University US Patent					Assay Description Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the s...				US Patent US8637558 (2014) BindingDB Entry DOI: 10.7270/Q280519F
					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM50438422 (CHEMBL2414141 | US8637558, 94) Show SMILES CC(C)OCCOc1ccc(C=C2SC(O)=NC2=O)cc1Cl |w:11.10,c:15| Show InChI InChI=1S/C15H16ClNO4S/c1-9(2)20-5-6-21-12-4-3-10(7-11(12)16)8-13-14(18)17-15(19)22-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chungbuk National University Curated by ChEMBL					Assay Description Inhibition of human GST-fused 15-PGDH expressed in Escherichia coli BL21 using PGE2 as substrate assessed as formation of NADH by fluorescence spectr...				Bioorg Med Chem 21: 4477-84 (2013) Article DOI: 10.1016/j.bmc.2013.05.049 BindingDB Entry DOI: 10.7270/Q2542Q00
					More data for this Ligand-Target Pair