Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50026469   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50251950 ((S)-4-(2,5-difluorophenyl)-N-methyl-N-(1-methylpip...) Show SMILES CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@H]1c1ccccc1)c1cc(F)ccc1F |r,c:14| Show InChI InChI=1S/C24H27F2N3O/c1-27-12-10-20(11-13-27)28(2)24(30)29-16-18(21-15-19(25)8-9-22(21)26)14-23(29)17-6-4-3-5-7-17/h3-9,14-15,20,23H,10-13,16H2,1-2H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252100 ((2S)-4-(2,5-difluorophenyl)-N-(1-(2-fluoroethyl)pi...) Show SMILES CN(C1CCN(CCF)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:16| Show InChI InChI=1S/C26H30F3N3O2/c1-30(22-9-12-31(13-10-22)14-11-27)25(34)32-17-19(23-15-21(28)7-8-24(23)29)16-26(32,18-33)20-5-3-2-4-6-20/h2-8,15-16,22,33H,9-14,17-18H2,1H3/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252044 ((2S)-4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N-me...) Show SMILES CN(C1CCN(C)CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:14| Show InChI InChI=1S/C25H29F2N3O2/c1-28-12-10-21(11-13-28)29(2)24(32)30-16-18(22-14-20(26)8-9-23(22)27)15-25(30,17-31)19-6-4-3-5-7-19/h3-9,14-15,21,31H,10-13,16-17H2,1-2H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252101 ((2S)-N-(1-cyclopropylpiperidin-4-yl)-4-(2,5-difluo...) Show SMILES CN(C1CCN(CC1)C1CC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:17| Show InChI InChI=1S/C27H31F2N3O2/c1-30(22-11-13-31(14-12-22)23-8-9-23)26(34)32-17-19(24-15-21(28)7-10-25(24)29)16-27(32,18-33)20-5-3-2-4-6-20/h2-7,10,15-16,22-23,33H,8-9,11-14,17-18H2,1H3/t27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220328 ((S)-2-((R)-3-amino-4,4-difluorobutyl)-4-(2,5-diflu...) Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CC[C@@H](N)C(F)F)c1ccccc1)c1cc(F)ccc1F |r,c:7| Show InChI InChI=1S/C23H25F4N3O/c1-29(2)22(31)30-14-15(18-12-17(24)8-9-19(18)25)13-23(30,11-10-20(28)21(26)27)16-6-4-3-5-7-16/h3-9,12-13,20-21H,10-11,14,28H2,1-2H3/t20-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252045 ((S)-4-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-met...) Show SMILES CN(C1CCNCC1)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:13| Show InChI InChI=1S/C24H27F2N3O2/c1-28(20-9-11-27-12-10-20)23(31)29-15-17(21-13-19(25)7-8-22(21)26)14-24(29,16-30)18-5-3-2-4-6-18/h2-8,13-14,20,27,30H,9-12,15-16H2,1H3/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50252150 ((S)-4-(2,5-difluorophenyl)-N-((3S,4S)-3-fluoro-1-m...) Show SMILES CN([C@H]1CCN(C)C[C@@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK499 from human ERG expressed in HEL cells				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Centromere-associated protein E (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human CENP-E				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-like protein KIF23 (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human MKLP1				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-like protein KIF3A (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human Kif3A				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-like protein KIF1B (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human Kif1B				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-1 heavy chain (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human uKHC				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin heavy chain isoform 5A (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human nKHC				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-like protein KIF14 (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human Kif14				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair
Kinesin-like protein KIF2C (Homo sapiens (Human))	BDBM50252149 ((2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)-3-fluoro-1-...) Show SMILES CN([C@H]1CCN(C)C[C@H]1F)C(=O)N1CC(=C[C@@]1(CO)c1ccccc1)c1cc(F)ccc1F |r,c:15| Show InChI InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of cloned human MCAK				J Med Chem 51: 4239-52 (2008) Article DOI: 10.1021/jm800386y BindingDB Entry DOI: 10.7270/Q26D5SSB
					More data for this Ligand-Target Pair