Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'shaffer' and Initial = 'kj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582491 (US11518779, Compound 7) Show SMILES N[C@@H](CCN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582494 (US11518779, Compound 33) Show SMILES N[C@@H](CCN(CCCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582492 (US11518779, Compound 10) Show SMILES Nc1nc(=O)n(cc1CNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r,$;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582496 (US11518779, Compound 56) Show SMILES N[C@@H](CCN(CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582497 (US11518779, Compound 70) Show SMILES N[C@@H](CCC(CNCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,w:4.25,$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582493 (US11518779, Compound 21) Show SMILES Nc1nc(=O)n(cc1CSCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582498 (US11518779, Compound 86) Show SMILES N[C@@H](CCN(CCCCCN1CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r,c:24| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM582495 (US11518779, Compound 42) Show SMILES N[C@@H](CCN(CCSc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OC=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The DNMT1 assays were carried to determine the IC50 with transition state analogs. The reaction (100 μL) containing 50 mM Tris-HCl pH 8.0, 100 m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P55SBF
					More data for this Ligand-Target Pair