BDBM276759 US10071992, Example 4

SMILES: CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)C#N

InChI Key: InChIKey=VBENMOMWIBPPEY-UHFFFAOYSA-N

Data: 1 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 = 276759   

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
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276759 (US10071992, Example 4 | US11034678, Example 4) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C21H20N6O3/c1-4-29-17-6-5-7-24-20(17)30-16-8-14(9-23-12-16)18-25-10-15(11-26-18)19(28)27-21(2,3)13-22/h5-12H,4H2,1-3H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 2 (Homo sapiens (Human))	BDBM276759 (US10071992, Example 4 | US11034678, Example 4) Show SMILES CCOc1cccnc1Oc1cncc(c1)-c1ncc(cn1)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C21H20N6O3/c1-4-29-17-6-5-7-24-20(17)30-16-8-14(9-23-12-16)18-25-10-15(11-26-18)19(28)27-21(2,3)13-22/h5-12H,4H2,1-3H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description For determination of IC50 values, the reactions were carried out in 384-well white Polyplates (Perkin Elmer) in a total volume of 20 μL. To 1 &#...				US Patent US10071992 (2018) BindingDB Entry DOI: 10.7270/Q2RJ4MHN
					More data for this Ligand-Target Pair