BDBM50521226 CHEMBL4471545

SMILES: CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1

InChI Key: InChIKey=JRKXXINBXZAUPN-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50521226   

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
Hepatic Lipase (HL) (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by subs...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair
Lipoprotein lipase (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human LPL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by sub...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrat...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair
Pancreatic lipase (Homo sapiens (Human))	BDBM50521226 (CHEMBL4471545) Show SMILES CS(=O)(=O)C(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccccc1 Show InChI InChI=1S/C18H17N5O5S3/c1-30(24,25)16(17-23-22-15(28-17)10-20-31(19,26)27)18-21-13-8-7-12(9-14(13)29-18)11-5-3-2-4-6-11/h2-9,16,20H,10H2,1H3,(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of recombinant human PL expressed in HEK293F cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by s...				ACS Med Chem Lett 9: 1263-1268 (2018) Article DOI: 10.1021/acsmedchemlett.8b00424
					More data for this Ligand-Target Pair