Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'salata' and Initial = 'jj'   

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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220966 (1-[(3R,3aR)-8-fluoro-3-(3-morpholin-4-yl-propyl)-3...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C25H28FN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220958 (1-[(3R,3aR)-3-(3-amino-propyl)-8-fluoro-3-phenyl-3...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN)c1ccccc1 |t:3| Show InChI InChI=1S/C21H22FN3O2/c1-14(26)20-21(10-5-11-23,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)25(19)24-20/h2-4,6-9,12,19H,5,10-11,13,23H2,1H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220324 (1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-diflu...) Show SMILES CC(=O)N1N=C(C[C@@]1(C[C@H](F)CN)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C20H20F3N3O/c1-13(27)26-20(10-16(22)12-24,14-5-3-2-4-6-14)11-19(25-26)17-9-15(21)7-8-18(17)23/h2-9,16H,10-12,24H2,1H3/t16-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220326 ((S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C20H21F2N3O/c1-14(26)25-20(10-5-11-23,15-6-3-2-4-7-15)13-19(24-25)17-12-16(21)8-9-18(17)22/h2-4,6-9,12H,5,10-11,13,23H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220964 (1-[3-((3R,3aR)-2-acetyl-8-fluoro-3-phenyl-3a,4-dih...) Show SMILES CN1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CCC1=O |c:22| Show InChI InChI=1S/C27H31FN4O3/c1-19(33)26-27(20-7-4-3-5-8-20,12-6-13-31-14-11-25(34)30(2)15-16-31)24-18-35-23-10-9-21(28)17-22(23)32(24)29-26/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3/t24-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220967 (1-[(3R,3aR)-8-chloro-3-(3-dimethylamino-propyl)-3-...) Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(Cl)cc3N2N=C1C(C)=O)c1ccccc1 |c:20| Show InChI InChI=1S/C23H26ClN3O2/c1-16(28)22-23(12-7-13-26(2)3,17-8-5-4-6-9-17)21-15-29-20-11-10-18(24)14-19(20)27(21)25-22/h4-6,8-11,14,21H,7,12-13,15H2,1-3H3/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220320 (1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropy...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CC[C@H](F)C1)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C24H26F3N3O/c1-17(31)30-24(18-6-3-2-4-7-18,11-5-12-29-13-10-20(26)16-29)15-23(28-30)21-14-19(25)8-9-22(21)27/h2-4,6-9,14,20H,5,10-13,15-16H2,1H3/t20-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220969 (1-{(3R,3aR)-3-[3-(4-acetyl-piperazin-1-yl)-propyl]...) Show SMILES CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(Cl)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |c:24| Show InChI InChI=1S/C27H31ClN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220970 (1-[(3R,3aR)-8-methyl-3-(3-morpholin-4-yl-propyl)-3...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(C)cc23)[C@@]1(CCCN1CCOCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C26H31N3O3/c1-19-9-10-23-22(17-19)29-24(18-32-23)26(25(27-29)20(2)30,21-7-4-3-5-8-21)11-6-12-28-13-15-31-16-14-28/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3/t24-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220331 (1-((S)-5-(3-((1R,4R)-5-oxa-2-aza-bicyclo[2.2.1]hep...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1C[C@H]2C[C@@H]1CO2)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C25H27F2N3O2/c1-17(31)30-25(18-6-3-2-4-7-18,10-5-11-29-15-21-13-20(29)16-32-21)14-24(28-30)22-12-19(26)8-9-23(22)27/h2-4,6-9,12,20-21H,5,10-11,13-16H2,1H3/t20-,21-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220332 (1-((S)-5-(3-(2-aza-bicyclo[2.2.1]heptan-2-yl)propy...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CC2CCC1C2)c1ccccc1)c1cc(F)ccc1F |c:4,TLB:10:11:17:14.15| Show InChI InChI=1S/C26H29F2N3O/c1-18(32)31-26(20-6-3-2-4-7-20,12-5-13-30-17-19-8-10-22(30)14-19)16-25(29-31)23-15-21(27)9-11-24(23)28/h2-4,6-7,9,11,15,19,22H,5,8,10,12-14,16-17H2,1H3/t19?,22?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220321 ((S)-1-(3-(2,5-difluorophenyl)-5-phenyl-5-(3-(pyrro...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C24H27F2N3O/c1-18(30)29-24(19-8-3-2-4-9-19,12-7-15-28-13-5-6-14-28)17-23(27-29)21-16-20(25)10-11-22(21)26/h2-4,8-11,16H,5-7,12-15,17H2,1H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220330 ((S)-1-(3-(2,5-difluorophenyl)-5-(3-(dimethylamino)...) Show SMILES CN(C)CCC[C@]1(CC(=NN1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:8| Show InChI InChI=1S/C22H25F2N3O/c1-16(28)27-22(12-7-13-26(2)3,17-8-5-4-6-9-17)15-21(25-27)19-14-18(23)10-11-20(19)24/h4-6,8-11,14H,7,12-13,15H2,1-3H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220963 (1-[3-((3R,3aR)-2-acetyl-8-fluoro-3-phenyl-3a,4-dih...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNC(=O)CC1)c1ccccc1 |t:3| Show InChI InChI=1S/C26H29FN4O3/c1-18(32)25-26(19-6-3-2-4-7-19,11-5-13-30-14-10-24(33)28-12-15-30)23-17-34-22-9-8-20(27)16-21(22)31(23)29-25/h2-4,6-9,16,23H,5,10-15,17H2,1H3,(H,28,33)/t23-,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24104 (1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...) Show SMILES CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |r,c:24| Show InChI InChI=1S/C27H31FN4O3/c1-19(33)26-27(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)25-18-35-24-10-9-22(28)17-23(24)32(25)29-26/h3-5,7-10,17,25H,6,11-16,18H2,1-2H3/t25-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220960 (1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-fluoro-3-...) Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(F)cc3N2N=C1C(C)=O)c1ccccc1 |c:20| Show InChI InChI=1S/C23H26FN3O2/c1-16(28)22-23(12-7-13-26(2)3,17-8-5-4-6-9-17)21-15-29-20-11-10-18(24)14-19(20)27(21)25-22/h4-6,8-11,14,21H,7,12-13,15H2,1-3H3/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220323 ((S)-1-(3-(2,5-difluorophenyl)-5-(3-(3-fluoroazetid...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CC(F)C1)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C23H24F3N3O/c1-16(30)29-23(17-6-3-2-4-7-17,10-5-11-28-14-19(25)15-28)13-22(27-29)20-12-18(24)8-9-21(20)26/h2-4,6-9,12,19H,5,10-11,13-15H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220322 ((S)-1-(3-(2,5-difluorophenyl)-5-(3-morpholinopropy...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCOCC1)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C24H27F2N3O2/c1-18(30)29-24(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)17-23(27-29)21-16-20(25)8-9-22(21)26/h2-4,6-9,16H,5,10-15,17H2,1H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220959 (1-[(R)-8-chloro-3-(3-morpholin-4-yl-propyl)-3-phen...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(Cl)cc23)C1(CCCN1CCOCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C25H28ClN3O3/c1-18(30)24-25(19-6-3-2-4-7-19,10-5-11-28-12-14-31-15-13-28)23-17-32-22-9-8-20(26)16-21(22)29(23)27-24/h2-4,6-9,16,23H,5,10-15,17H2,1H3/t23-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220957 (1-[(3R,3aR)-3-(3-dimethylamino-propyl)-8-methyl-3-...) Show SMILES CN(C)CCC[C@]1([C@@H]2COc3ccc(C)cc3N2N=C1C(C)=O)c1ccccc1 |c:20| Show InChI InChI=1S/C24H29N3O2/c1-17-11-12-21-20(15-17)27-22(16-29-21)24(13-8-14-26(3)4,23(25-27)18(2)28)19-9-6-5-7-10-19/h5-7,9-12,15,22H,8,13-14,16H2,1-4H3/t22-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24089 ((5S)-5-(3-aminopropyl)-3-(2,5-difluorophenyl)-N,N-...) Show SMILES CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6| Show InChI InChI=1S/C21H24F2N4O/c1-26(2)20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(25-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,6,11-12,14,24H2,1-2H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair				3D Structure (docked)
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50006878 ((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220329 ((S)-1-(3-(2,5-difluorophenyl)-5-(3-((2-methoxyethy...) Show SMILES COCCN(C)CCC[C@]1(CC(=NN1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:11| Show InChI InChI=1S/C24H29F2N3O2/c1-18(30)29-24(19-8-5-4-6-9-19,12-7-13-28(2)14-15-31-3)17-23(27-29)21-16-20(25)10-11-22(21)26/h4-6,8-11,16H,7,12-15,17H2,1-3H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50209228 ((S)-2-(3-aminopropyl)-4-(2,5-difluorophenyl)-N,N-d...) Show SMILES CN(C)C(=O)N1CC(=C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:7| Show InChI InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-15-16(19-13-18(23)9-10-20(19)24)14-22(27,11-6-12-25)17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15,25H2,1-2H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220325 (1-[(S)-5-[3-(4-acetyl-piperazin-1-yl)-propyl]-3-(2...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCN(CC1)C(C)=O)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220971 (1-[(R)-4-[3-(4-acetyl-piperazin-1-yl)-propyl]-1-(2...) Show SMILES CC(=O)N1CCN(CCC[C@]2(CN(N=C2C(C)=O)c2cc(F)ccc2F)c2ccccc2)CC1 |c:13| Show InChI InChI=1S/C26H30F2N4O2/c1-19(33)25-26(21-7-4-3-5-8-21,11-6-12-30-13-15-31(16-14-30)20(2)34)18-32(29-25)24-17-22(27)9-10-23(24)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220327 ((S)-1-(3-(2,5-difluorophenyl)-5-(3-(3,3-difluoropy...) Show SMILES CC(=O)N1N=C(C[C@@]1(CCCN1CCC(F)(F)C1)c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C24H25F4N3O/c1-17(32)31-23(18-6-3-2-4-7-18,10-5-12-30-13-11-24(27,28)16-30)15-22(29-31)20-14-19(25)8-9-21(20)26/h2-4,6-9,14H,5,10-13,15-16H2,1H3/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220962 (1-[(3R,3aR)-8-fluoro-3-phenyl-3-(3-piperazin-1-yl-...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN1CCNCC1)c1ccccc1 |t:3| Show InChI InChI=1S/C25H29FN4O2/c1-18(31)24-25(19-6-3-2-4-7-19,10-5-13-29-14-11-27-12-15-29)23-17-32-22-9-8-20(26)16-21(22)30(23)28-24/h2-4,6-9,16,23,27H,5,10-15,17H2,1H3/t23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220961 (1-[(3R,3aR)-8-fluoro-3-(3-hydroxy-propyl)-3-phenyl...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCO)c1ccccc1 |t:3| Show InChI InChI=1S/C21H21FN2O3/c1-14(26)20-21(10-5-11-25,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)24(19)23-20/h2-4,6-9,12,19,25H,5,10-11,13H2,1H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of KSP by ATPase assay				Bioorg Med Chem Lett 17: 5390-5 (2007) Article DOI: 10.1016/j.bmcl.2007.07.046 BindingDB Entry DOI: 10.7270/Q2RX9BSM
					More data for this Ligand-Target Pair				3D Structure (docked)
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315563 (CHEMBL1088844 | {[(1S,2S,5R)-5-methyl-2-(propan-2-...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H29OP/c1-17(2)21-15-14-18(3)16-22(21)24(23,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50061207 (3-(2,4-Dichloro-phenyl)-N-[1-(2-dimethylamino-ethy...) Show SMILES CN(C)CCN1c2ccccc2C(=NC(NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C28H28Cl2N4O2/c1-33(2)16-17-34-24-11-7-6-10-22(24)26(20-8-4-3-5-9-20)32-27(28(34)36)31-25(35)15-13-19-12-14-21(29)18-23(19)30/h3-12,14,18,27H,13,15-17H2,1-2H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061220 (1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220968 (1-((3R,3aR)-8-fluoro-3-phenyl-3a,4-dihydro-3H-5-ox...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@H]1c1ccccc1 |t:3| Show InChI InChI=1S/C18H15FN2O2/c1-11(22)18-17(12-5-3-2-4-6-12)15-10-23-16-8-7-13(19)9-14(16)21(15)20-18/h2-9,15,17H,10H2,1H3/t15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315564 (2-morpholino-1,1,2-triphenylethanol | CHEMBL109186...) Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO2/c26-24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)23(20-10-4-1-5-11-20)25-16-18-27-19-17-25/h1-15,23,26H,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315582 (2-phenyl-2-(piperidin-1-yl)-1,1-di(pyridin-3-yl)et...) Show SMILES OC(C(N1CCCCC1)c1ccccc1)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315578 (2-(diethylamino)-2-phenyl-1,1-di(pyridin-3-yl)etha...) Show SMILES CCN(CC)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C22H25N3O/c1-3-25(4-2)21(18-10-6-5-7-11-18)22(26,19-12-8-14-23-16-19)20-13-9-15-24-17-20/h5-17,21,26H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315568 (2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol ...) Show SMILES OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C22H23N3O2/c26-22(19-8-4-10-23-16-19,20-9-5-11-24-17-20)21(18-6-2-1-3-7-18)25-12-14-27-15-13-25/h1-11,16-17,21,26H,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315583 (2-phenyl-1,1-di(pyridin-3-yl)-2-(pyrrolidin-1-yl)e...) Show SMILES OC(C(N1CCCC1)c1ccccc1)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C22H23N3O/c26-22(19-10-6-12-23-16-19,20-11-7-13-24-17-20)21(25-14-4-5-15-25)18-8-2-1-3-9-18/h1-3,6-13,16-17,21,26H,4-5,14-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315580 (2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-di(pyridin-3-yl...) Show SMILES OC(C(N1CCCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315579 (2-((2-methoxyethyl)(methyl)amino)-2-phenyl-1,1-di(...) Show SMILES COCCN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C22H25N3O2/c1-25(14-15-27-2)21(18-8-4-3-5-9-18)22(26,19-10-6-12-23-16-19)20-11-7-13-24-17-20/h3-13,16-17,21,26H,14-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	583	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220965 (1-((3R,3aR)-3-phenyl-3a,4-dihydro-3H-5-oxa-1,9b-di...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccccc23)[C@H]1c1ccccc1 |t:3| Show InChI InChI=1S/C18H16N2O2/c1-12(21)18-17(13-7-3-2-4-8-13)15-11-22-16-10-6-5-9-14(16)20(15)19-18/h2-10,15,17H,11H2,1H3/t15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of kinesin spindle protein				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair				3D Structure (docked)
Potassium voltage-gated channel subfamily A member 5 (Homo sapiens (Human))	BDBM50315576 (2-(dimethylamino)-2-phenyl-1,1-di(pyridin-3-yl)eth...) Show SMILES CN(C)C(c1ccccc1)C(O)(c1cccnc1)c1cccnc1 Show InChI InChI=1S/C20H21N3O/c1-23(2)19(16-8-4-3-5-9-16)20(24,17-10-6-12-21-14-17)18-11-7-13-22-15-18/h3-15,19,24H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 channel expressed in CHO cells by whole cell patch clamp assay				Bioorg Med Chem Lett 20: 2493-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.005 BindingDB Entry DOI: 10.7270/Q2T153SV
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50220958 (1-[(3R,3aR)-3-(3-amino-propyl)-8-fluoro-3-phenyl-3...) Show SMILES CC(=O)C1=NN2[C@@H](COc3ccc(F)cc23)[C@@]1(CCCN)c1ccccc1 |t:3| Show InChI InChI=1S/C21H22FN3O2/c1-14(26)20-21(10-5-11-23,15-6-3-2-4-7-15)19-13-27-18-9-8-16(22)12-17(18)25(19)24-20/h2-4,6-9,12,19H,5,10-11,13,23H2,1H3/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of hERG expressed in HEK cells				Bioorg Med Chem Lett 17: 5671-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.067 BindingDB Entry DOI: 10.7270/Q261101N
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50061222 (3-Cyclohexyl-N-((R)-1-methyl-2-oxo-5-phenyl-2,3-di...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)CCC2CCCCC2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H29N3O2/c1-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)27-24(25(28)30)26-22(29)17-16-18-10-4-2-5-11-18/h3,6-9,12-15,18,24H,2,4-5,10-11,16-17H2,1H3,(H,26,29)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Ikr current in isolated guinea pig myocytes during a 0.5 s voltage clamp step from -50 to -10 mV.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061225 (3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-5-ph...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)CCc2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H21Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-11,13,15,24H,12,14H2,1H3,(H,28,31)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061218 ((E)-3-(2,4-Dichloro-phenyl)-N-((R)-1-methyl-2-oxo-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)\C=C\c2ccc(Cl)cc2Cl)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-19(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-18(26)15-20(16)27/h2-15,24H,1H3,(H,28,31)/b14-12+/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061217 (3-Cyclohexyl-N-((R)-1-isopropyl-2-oxo-5-phenyl-2,3...) Show SMILES CC(C)N1c2ccccc2C(=N[C@@H](NC(=O)CCC2CCCCC2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C27H33N3O2/c1-19(2)30-23-16-10-9-15-22(23)25(21-13-7-4-8-14-21)29-26(27(30)32)28-24(31)18-17-20-11-5-3-6-12-20/h4,7-10,13-16,19-20,26H,3,5-6,11-12,17-18H2,1-2H3,(H,28,31)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061212 ((R)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)CCc2ccccc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H23N3O2/c1-28-21-15-9-8-14-20(21)23(19-12-6-3-7-13-19)27-24(25(28)30)26-22(29)17-16-18-10-4-2-5-11-18/h2-15,24H,16-17H2,1H3,(H,26,29)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM50061214 (3-(4-Amino-phenyl)-N-((R)-1-methyl-2-oxo-5-phenyl-...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)CCc2ccc(N)cc2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C25H24N4O2/c1-29-21-10-6-5-9-20(21)23(18-7-3-2-4-8-18)28-24(25(29)31)27-22(30)16-13-17-11-14-19(26)15-12-17/h2-12,14-15,24H,13,16,26H2,1H3,(H,27,30)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Half maximal inhibition of binding of [125I]-CCK-8 to Cholecystokinin type B receptor in guinea pig cerebral cortex.				J Med Chem 40: 3865-8 (1998) Article DOI: 10.1021/jm970517u BindingDB Entry DOI: 10.7270/Q2Q81C6H
					More data for this Ligand-Target Pair

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