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BDBM187290 US9169240, 30

SMILES: COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1

InChI Key: InChIKey=DMPVUNBZJQKAFR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 187290   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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US Patent
n/an/a<10n/an/an/an/a8.0n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The enzymatic assay was measured using white, opaque 96-well half area plates. Each well contained 60 μL of assay buffer (50 mM HEPES pH 8.0, 50...


US Patent US9169240 (2015)


BindingDB Entry DOI: 10.7270/Q2W66JK8
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addition and measur...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human HL expressed in human COS7 cells using A10070 as substrate preincubated for 20 min followed by DMPG vesicle doped substrate addit...


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of mouse plasma by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
More data for this
Ligand-Target Pair
Endothelial lipase


(Homo sapiens (Human))
BDBM187290
PNG
(US9169240, 30)
Show SMILES COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(=O)c1nnc(CNS(N)(=O)=O)o1
Show InChI InChI=1S/C19H16N6O6S2/c1-30-19(27)22-12-5-2-10(3-6-12)11-4-7-13-14(8-11)32-18(23-13)16(26)17-25-24-15(31-17)9-21-33(20,28)29/h2-8,21H,9H2,1H3,(H,22,27)(H2,20,28,29)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EL in human HT1080 cells using D31-POPC-HDL as substrate incubated for 2 hrs in presence of human serum by LC/MS analysis


J Med Chem 63: 1660-1670 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01831
More data for this
Ligand-Target Pair