BindingDB logo
myBDB logout

BDBM321143 US10174049, Example 10::US9738658, Example 10

SMILES: Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12

InChI Key: InChIKey=VYKZCMYKWHNUOI-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 = 321143   
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
hdgat le


(Homo sapiens (Human))
BDBM321143
PNG
(US10174049, Example 10 | US9738658, Example 10)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-13-8-14(23)10-16(9-13)27-4-3-12-7-15(1-2-17(12)27)28-5-6-30-20-18(21(28)29)19(24)25-11-26-20/h1-4,7-11H,5-6H2,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US9738658 (2017)

More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM321143
PNG
(US10174049, Example 10 | US9738658, Example 10)
Show SMILES Nc1ncnc2OCCN(c3ccc4n(ccc4c3)-c3cc(Cl)cc(Cl)c3)C(=O)c12
Show InChI InChI=1S/C21H15Cl2N5O2/c22-13-8-14(23)10-16(9-13)27-4-3-12-7-15(1-2-17(12)27)28-5-6-30-20-18(21(28)29)19(24)25-11-26-20/h1-4,7-11H,5-6H2,(H2,24,25,26)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.90n/an/an/an/an/an/a



Glaxosmithkline LLC

US Patent


Assay Description
For inhibition of triacylglycerol product formation, 11 uL reactions were run in white Polyplate-384 (PerkinElmer6007300) starting with a 30 minute p...


US Patent US10174049 (2019)

More data for this
Ligand-Target Pair