Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 10605   

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
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554135 (US11325921, Example 22) Show SMILES [H][C@@]12C[C@H](F)[C@@]([H])(C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C#N |r,THB:10:8:7:2.3,4:3:8.9:7| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554134 (US11325921, Example 21) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@@H]4N[C@@H]5CC[C@H]4C5)C3)c(cnc2s1)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554136 (US11325921, Example 23) Show SMILES [H][C@@]12C[C@@]([H])([C@H](N1)C(=O)N1CC3(C1)CN(C3)c1c(cnc3sc(CC(F)(F)F)cc13)C#N)C(F)(F)C2 |r,TLB:7:5:2:35.32| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554133 (US11325921, Example 20) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@H]4N[C@@H]5CC[C@H]4C5)C3)c(cnc2s1)C#N |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554059 (US11325921, Example 1) Show SMILES [H][C@]12CC[C@]([H])([C@@H](F)C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554111 (US11325921, Example 2 | US11325921, Example 9) Show SMILES [H][C@@]12C[C@H](F)[C@@]([H])(C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554139 (US11325921, Example 26 | US11325921, Example 27) Show SMILES FC(F)c1cnc2sc(CC(F)(F)F)cc2c1N1CC2(CN(C2)C(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554116 (US11325921, Example 6) Show SMILES [H][C@]12CC[C@]([H])(N[C@@H]1C(=O)N1CC3(C1)CN(C3)c1c(cnc3sc(CC(F)(F)F)cc13)C(F)(F)F)[C@@H](O)C2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554111 (US11325921, Example 2 | US11325921, Example 9) Show SMILES [H][C@@]12C[C@H](F)[C@@]([H])(C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554112 (US11325921, Example 3) Show SMILES [H][C@]12CC[C@]([H])(CC1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F |wU:1.0,4.4,8.11,(4.8,-13.28,;4.8,-11.74,;4.54,-10.72,;4.54,-9.69,;4.8,-8.66,;4.8,-7.12,;3.46,-9.43,;3.46,-10.97,;6.13,-9.43,;6.13,-10.97,;7.46,-8.66,;7.46,-7.12,;8.8,-9.43,;10.28,-9.04,;10.68,-10.52,;9.2,-10.92,;12.17,-10.13,;12.57,-11.61,;11.08,-12.01,;13.9,-12.38,;15.24,-11.61,;16.57,-12.38,;16.57,-13.92,;15.24,-14.69,;14.92,-16.2,;13.38,-16.36,;12.61,-17.69,;13.38,-19.03,;14.15,-20.36,;12.05,-19.8,;14.72,-18.26,;12.76,-14.95,;13.9,-13.92,;15.24,-10.07,;15.24,-8.53,;16.78,-10.07,;13.7,-10.07,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554139 (US11325921, Example 26 | US11325921, Example 27) Show SMILES FC(F)c1cnc2sc(CC(F)(F)F)cc2c1N1CC2(CN(C2)C(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554126 (US11325921, Example 11) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@H]4N[C@H]5C[C@@H]4C[C@@H]5OCC=C)C3)c(cnc2s1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554138 (US11325921, Example 25) Show SMILES [H][C@@]12CC(=O)[C@@]([H])(C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C#N |r,THB:10:8:7:2.3,4:3:8.9:7| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554128 (US11325921, Example 13) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@H]4N[C@H]5C[C@@H]4C[C@@H]5OCc4ccccc4)C3)c(cnc2s1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554113 (US11325921, Example 4) Show SMILES [H][C@@]12CC[C@@]([H])([C@H](N1)C(=O)N1CC3(C1)CN(C3)c1c(cnc3sc(CC(F)(F)F)cc13)C(F)(F)F)C(F)(F)C2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554120 (US11325921, Example 7) Show SMILES [H][C@]12CC[C@]([H])([C@@H](O)C1)[C@H](N2)C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554125 (US11325921, Example 10) Show SMILES [H][C@]12C[C@@H](F)[C@]([H])(C1)N[C@@H]2C(=O)N1CC2(C1)CN(C2)c1c(cnc2sc(CC(F)(F)F)cc12)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	343	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554127 (US11325921, Example 12) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@@H]4N[C@H]5C[C@@H]4C[C@@H]5OCC=C)C3)c(cnc2s1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	519	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554121 (US11325921, Example 8) Show SMILES [H][C@@]12CC[C@@]([H])([C@H](N1)C(=O)N1CC3(C1)CN(C3)c1c(cnc3sc(CC(F)(F)F)cc13)C(F)(F)F)C(=O)C2 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	635	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase 2A/Menin (Homo sapiens (Human))	BDBM554131 (US11325921, Example 14) Show SMILES FC(F)(F)Cc1cc2c(N3CC4(CN(C4)C(=O)[C@@H]4N[C@H]5C[C@@H]4C[C@@H]5OCc4ccccc4)C3)c(cnc2s1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Test for Evaluating the Inbinition of the Menin-MLL BindingMenin1-615 wherein 6× His tag and HA tag are inserted in the N-terminus, and myc tag is in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2K64N9C
					More data for this Ligand-Target Pair