BDBM27953 2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)adamantan-1-yl]acetic acid::adamantane-pyrimido[4,5-b][1,4]oxazine deriv., 7
SMILES: CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2
InChI Key: InChIKey=VDXLLEOUOOXMHS-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sterol O-acyltransferase 1 (Homo sapiens (Human)) | BDBM27953 (2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 37 |
AstraZeneca | Assay Description The assay mixture contains test compound, membrane protein, cholesterol solubilized in Triton WR-1339, and glutathione in a 96-deep well plate. The r... | J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Diacylglycerol O-acyltransferase 1 (DGAT1) (Homo sapiens (Human)) | BDBM27953 (2-[3-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 120 | n/a | n/a | n/a | n/a | 7.4 | 22 |
AstraZeneca | Assay Description The assay mixture contains test compound, membrane protein, and 1,2 dioleoyl-sn-glycerol in a 96-deep well plate. The reaction was started by adding ... | J Med Chem 52: 1558-68 (2009) Article DOI: 10.1021/jm801507v BindingDB Entry DOI: 10.7270/Q2N014VR | |||||||||||
More data for this Ligand-Target Pair |