BDBM50438401 CHEMBL2414162::US8637558, 71

SMILES: OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)c(Cl)c1

InChI Key: InChIKey=YIHNCMPGHXEKBB-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 = 50438401   

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))	BDBM50438401 (CHEMBL2414162 | US8637558, 71) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C20H18ClNO3S/c21-16-12-15(13-18-19(23)22-20(24)26-18)9-10-17(16)25-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13H,4-5,8,11H2,(H,22,23,24)	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	47.5	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))	BDBM50438401 (CHEMBL2414162 | US8637558, 71) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCCc2ccccc2)c(Cl)c1 |w:7.8,t:1| Show InChI InChI=1S/C20H18ClNO3S/c21-16-12-15(13-18-19(23)22-20(24)26-18)9-10-17(16)25-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13H,4-5,8,11H2,(H,22,23,24)	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	48	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