Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'mariano' and Initial = 'bj'   

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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24084 (3,5-diaryl-4,5-dihydropyrazole, 10a | 5-(3-aminopr...) Show SMILES CN(C)C(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration towards caspase-3 induction in human A2780 ovarian carcinoma cells				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (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	19.3	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.7	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24086 (3,5-diaryl-4,5-dihydropyrazole, 10c | 3-[3-(2,5-di...) Show SMILES NCCCC1(CC(=NN1C(=O)N1CCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6| Show InChI InChI=1S/C23H26F2N4O/c24-18-9-10-20(25)19(15-18)21-16-23(11-6-12-26,17-7-2-1-3-8-17)29(27-21)22(30)28-13-4-5-14-28/h1-3,7-10,15H,4-6,11-14,16,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24065 (1-[(5S)-3-(2,5-difluorophenyl)-5-(3-hydroxyphenyl)...) Show SMILES CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3/t17-/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	26.4	n/a	n/a	n/a	n/a	7.4	22
Merck Research Laboratories					Assay Description The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24074 (3,5-diaryl-4,5-dihydropyrazole, 8h | 5-(3-aminopro...) Show SMILES CCNC(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C21H24F2N4O/c1-2-25-20(28)27-21(11-6-12-24,15-7-4-3-5-8-15)14-19(26-27)17-13-16(22)9-10-18(17)23/h3-5,7-10,13H,2,6,11-12,14,24H2,1H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164860 (1-[3-(2,5-Difluoro-phenyl)-5-(3-hydroxy-phenyl)-4,...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C17H14F2N2O2/c1-10(22)21-17(11-3-2-4-13(23)7-11)9-16(20-21)14-8-12(18)5-6-15(14)19/h2-8,17,23H,9H2,1H3	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair				3D Structure (docked)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24085 (3,5-diaryl-4,5-dihydropyrazole, 10b | 3-[1-(azetid...) Show SMILES NCCCC1(CC(=NN1C(=O)N1CCC1)c1cc(F)ccc1F)c1ccccc1 |c:6| Show InChI InChI=1S/C22H24F2N4O/c23-17-8-9-19(24)18(14-17)20-15-22(10-4-11-25,16-6-2-1-3-7-16)28(26-20)21(29)27-12-5-13-27/h1-3,6-9,14H,4-5,10-13,15,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24075 (3,5-diaryl-4,5-dihydropyrazole, 8i | 5-(4-aminobut...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCN)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C22H26F2N4O/c1-2-26-21(29)28-22(12-6-7-13-25,16-8-4-3-5-9-16)15-20(27-28)18-14-17(23)10-11-19(18)24/h3-5,8-11,14H,2,6-7,12-13,15,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24053 (3-(2,5-difluorophenyl)-N,N-dimethyl-5-phenyl-4,5-d...) Show SMILES CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C18H17F2N3O/c1-22(2)18(24)23-17(12-6-4-3-5-7-12)11-16(21-23)14-10-13(19)8-9-15(14)20/h3-10,17H,11H2,1-2H3	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	84	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24087 (3,5-diaryl-4,5-dihydropyrazole, 10d | 3-[3-(2,5-di...) Show SMILES NCCCC1(CC(=NN1C(=O)N1CCCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6| Show InChI InChI=1S/C24H28F2N4O/c25-19-10-11-21(26)20(16-19)22-17-24(12-7-13-27,18-8-3-1-4-9-18)30(28-22)23(31)29-14-5-2-6-15-29/h1,3-4,8-11,16H,2,5-7,12-15,17,27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24049 (1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3	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	94	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24076 (3,5-diaryl-4,5-dihydropyrazole, 9a | 5-[4-(benzyla...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNCc1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C29H32F2N4O/c1-2-33-28(36)35-29(23-13-7-4-8-14-23,17-9-10-18-32-21-22-11-5-3-6-12-22)20-27(34-35)25-19-24(30)15-16-26(25)31/h3-8,11-16,19,32H,2,9-10,17-18,20-21H2,1H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24077 (3,5-diaryl-4,5-dihydropyrazole, 9b | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCN(C)C)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C24H30F2N4O/c1-4-27-23(31)30-24(14-8-9-15-29(2)3,18-10-6-5-7-11-18)17-22(28-30)20-16-19(25)12-13-21(20)26/h5-7,10-13,16H,4,8-9,14-15,17H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24078 (3,5-diaryl-4,5-dihydropyrazole, 9c | 5-(4-{2-azabi...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCN1CC2CC1C=C2)c1ccccc1)c1cc(F)ccc1F |c:6,21| Show InChI InChI=1S/C28H32F2N4O/c1-2-31-27(35)34-28(21-8-4-3-5-9-21,14-6-7-15-33-19-20-10-12-23(33)16-20)18-26(32-34)24-17-22(29)11-13-25(24)30/h3-5,8-13,17,20,23H,2,6-7,14-16,18-19H2,1H3,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24088 (3,5-diaryl-4,5-dihydropyrazole, 10e | 3-[3-(2,5-di...) Show SMILES NCCCC1(CC(=NN1C(=O)N1CCOCC1)c1cc(F)ccc1F)c1ccccc1 |c:6| Show InChI InChI=1S/C23H26F2N4O2/c24-18-7-8-20(25)19(15-18)21-16-23(9-4-10-26,17-5-2-1-3-6-17)29(27-21)22(30)28-11-13-31-14-12-28/h1-3,5-8,15H,4,9-14,16,26H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164856 (1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyra...) Show SMILES CC(=S)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C17H14F2N2S/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)14-9-13(18)7-8-15(14)19/h2-9,17H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24068 (3,5-diaryl-4,5-dihydropyrazole, 8b | 3-(2,5-difluo...) Show SMILES CNC(=O)N1N=C(CC1(C)c1ccccc1)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C18H17F2N3O/c1-18(12-6-4-3-5-7-12)11-16(22-23(18)17(24)21-2)14-10-13(19)8-9-15(14)20/h3-10H,11H2,1-2H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24073 (3,5-diaryl-4,5-dihydropyrazole, 8g | 5-(2-aminoeth...) Show SMILES CCNC(=O)N1N=C(CC1(CCN)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C20H22F2N4O/c1-2-24-19(27)26-20(10-11-23,14-6-4-3-5-7-14)13-18(25-26)16-12-15(21)8-9-17(16)22/h3-9,12H,2,10-11,13,23H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24081 (3,5-diaryl-4,5-dihydropyrazole, 9f | N-{4-[3-(2,5-...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ccccn1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C28H29F2N5O2/c1-2-31-27(37)35-28(20-10-4-3-5-11-20,19-25(34-35)22-18-21(29)13-14-23(22)30)15-7-9-17-33-26(36)24-12-6-8-16-32-24/h3-6,8,10-14,16,18H,2,7,9,15,17,19H2,1H3,(H,31,37)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	391	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24066 (1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24066 (1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164876 (1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...) Show SMILES CC(C)(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7| Show InChI InChI=1S/C20H21ClN2O2/c1-20(2,3)19(25)23-18(13-7-6-8-14(24)11-13)12-17(22-23)15-9-4-5-10-16(15)21/h4-11,18,24H,12H2,1-3H3	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	460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24082 (3,5-diaryl-4,5-dihydropyrazole, 9g | N-{4-[3-(2,5-...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ncc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C26H28F2N6O2/c1-2-29-25(36)34-26(18-8-4-3-5-9-18,12-6-7-13-32-24(35)23-30-14-15-31-23)17-22(33-34)20-16-19(27)10-11-21(20)28/h3-5,8-11,14-16H,2,6-7,12-13,17H2,1H3,(H,29,36)(H,30,31)(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	552	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24079 (3,5-diaryl-4,5-dihydropyrazole, 9d | 4-[3-(2,5-dif...) Show SMILES CCNC(=O)N1N=C(CC1(CCCC[N+](C)(C)[O-])c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C24H30F2N4O2/c1-4-27-23(31)29-24(18-10-6-5-7-11-18,14-8-9-15-30(2,3)32)17-22(28-29)20-16-19(25)12-13-21(20)26/h5-7,10-13,16H,4,8-9,14-15,17H2,1-3H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	585	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24070 (3,5-diaryl-4,5-dihydropyrazole, 8d | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCO)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C20H21F2N3O2/c1-2-23-19(27)25-20(10-11-26,14-6-4-3-5-7-14)13-18(24-25)16-12-15(21)8-9-17(16)22/h3-9,12,26H,2,10-11,13H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	606	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24083 (3,5-diaryl-4,5-dihydropyrazole, 9h | N-{4-[3-(2,5-...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1cnc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C26H28F2N6O2/c1-2-30-25(36)34-26(18-8-4-3-5-9-18,12-6-7-13-31-24(35)23-16-29-17-32-23)15-22(33-34)20-14-19(27)10-11-21(20)28/h3-5,8-11,14,16-17H,2,6-7,12-13,15H2,1H3,(H,29,32)(H,30,36)(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	686	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24072 (3,5-diaryl-4,5-dihydropyrazole, 8f | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCO)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C22H25F2N3O2/c1-2-25-21(29)27-22(12-6-7-13-28,16-8-4-3-5-9-16)15-20(26-27)18-14-17(23)10-11-19(18)24/h3-5,8-11,14,28H,2,6-7,12-13,15H2,1H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	697	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24071 (3,5-diaryl-4,5-dihydropyrazole, 8e | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCCO)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C21H23F2N3O2/c1-2-24-20(28)26-21(11-6-12-27,15-7-4-3-5-8-15)14-19(25-26)17-13-16(22)9-10-18(17)23/h3-5,7-10,13,27H,2,6,11-12,14H2,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	745	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24080 (3,5-diaryl-4,5-dihydropyrazole, 9e | 3-(2,5-difluo...) Show SMILES CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6| Show InChI InChI=1S/C29H30F2N4O2/c1-2-32-28(37)35-29(22-13-7-4-8-14-22,20-26(34-35)24-19-23(30)15-16-25(24)31)17-9-10-18-33-27(36)21-11-5-3-6-12-21/h3-8,11-16,19H,2,9-10,17-18,20H2,1H3,(H,32,37)(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	892	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24069 (3,5-diaryl-4,5-dihydropyrazole, 8c | 3-(2,5-difluo...) Show SMILES CNC(=O)N1N=C(CC1(CO)c1ccccc1)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C18H17F2N3O2/c1-21-17(25)23-18(11-24,12-5-3-2-4-6-12)10-16(22-23)14-9-13(19)7-8-15(14)20/h2-9,24H,10-11H2,1H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	903	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164853 (1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...) Show SMILES CC(C)C(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:6| Show InChI InChI=1S/C19H19ClN2O2/c1-12(2)19(24)22-18(13-6-5-7-14(23)10-13)11-17(21-22)15-8-3-4-9-16(15)20/h3-10,12,18,23H,11H2,1-2H3	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164857 (1-[3-(2-Chloro-phenyl)-5-(3-hydroxy-phenyl)-4,5-di...) Show SMILES CCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:5| Show InChI InChI=1S/C18H17ClN2O2/c1-2-18(23)21-17(12-6-5-7-13(22)10-12)11-16(20-21)14-8-3-4-9-15(14)19/h3-10,17,22H,2,11H2,1H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164861 (1-(3-(2,5-difluorophenyl)-5-(thiophen-2-yl)-4,5-di...) Show SMILES CC(=O)N1N=C(CC1c1cccs1)c1cc(F)ccc1F |c:4| Show InChI InChI=1S/C15H12F2N2OS/c1-9(20)19-14(15-3-2-6-21-15)8-13(18-19)11-7-10(16)4-5-12(11)17/h2-7,14H,8H2,1H3	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164864 (3-(2,5-Difluoro-phenyl)-1-methanesulfonyl-5-phenyl...) Show SMILES CS(=O)(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C16H14F2N2O2S/c1-23(21,22)20-16(11-5-3-2-4-6-11)10-15(19-20)13-9-12(17)7-8-14(13)18/h2-9,16H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM24067 (3,5-diaryl-4,5-dihydropyrazole, 8a | 3-(2,5-difluo...) Show SMILES CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)	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	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM24067 (3,5-diaryl-4,5-dihydropyrazole, 8a | 3-(2,5-difluo...) Show SMILES CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5| Show InChI InChI=1S/C17H15F2N3O/c1-20-17(23)22-16(11-5-3-2-4-6-11)10-15(21-22)13-9-12(18)7-8-14(13)19/h2-9,16H,10H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	7.0	23
Merck Research Laboratories					Assay Description The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...				Bioorg Med Chem Lett 16: 3175-9 (2006) Article DOI: 10.1016/j.bmcl.2006.03.040 BindingDB Entry DOI: 10.7270/Q2445JTH
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164867 (1-(3-(2-fluorophenyl)-5-phenyl-4,5-dihydropyrazol-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1F |c:4| Show InChI InChI=1S/C17H15FN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164869 (1-(3-(2-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1ccccc1Cl |c:4| Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18/h2-10,17H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164874 (1-[3-(3,5-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)cc(F)c1 |c:4| Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)13-7-14(18)9-15(19)8-13/h2-9,17H,10H2,1H3	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164872 (4-Amino-1-[3-(2-chloro-phenyl)-5-(3-hydroxy-phenyl...) Show SMILES NCCCC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:7| Show InChI InChI=1S/C19H20ClN3O2/c20-16-8-2-1-7-15(16)17-12-18(13-5-3-6-14(24)11-13)23(22-17)19(25)9-4-10-21/h1-3,5-8,11,18,24H,4,9-10,12,21H2	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164875 (1-[5-(3-Hydroxy-phenyl)-3-phenyl-4,5-dihydro-pyraz...) Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1 |c:4| Show InChI InChI=1S/C17H16N2O2/c1-12(20)19-17(14-8-5-9-15(21)10-14)11-16(18-19)13-6-3-2-4-7-13/h2-10,17,21H,11H2,1H3	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	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164866 (1-(3-(3-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cccc(Cl)c1 |c:4| Show InChI InChI=1S/C17H15ClN2O/c1-12(21)20-17(13-6-3-2-4-7-13)11-16(19-20)14-8-5-9-15(18)10-14/h2-10,17H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50198309 ((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...) Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)/t11?,12-/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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164865 (1-[3-(2,6-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1c(F)cccc1F |c:4| Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-16(12-6-3-2-4-7-12)10-15(20-21)17-13(18)8-5-9-14(17)19/h2-9,16H,10H2,1H3	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	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164868 (1-[3-(2,3-Difluoro-phenyl)-5-phenyl-4,5-dihydro-py...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cccc(F)c1F |c:4| Show InChI InChI=1S/C17H14F2N2O/c1-11(22)21-16(12-6-3-2-4-7-12)10-15(20-21)13-8-5-9-14(18)17(13)19/h2-9,16H,10H2,1H3	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	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50164873 (CHEMBL195659 | [3-(2-Chloro-phenyl)-5-(3-hydroxy-p...) Show SMILES Oc1cccc(c1)C1CC(=NN1C(=O)c1ccccc1)c1ccccc1Cl |c:10| Show InChI InChI=1S/C22H17ClN2O2/c23-19-12-5-4-11-18(19)20-14-21(16-9-6-10-17(26)13-16)25(24-20)22(27)15-7-2-1-3-8-15/h1-13,21,26H,14H2	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	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...				Bioorg Med Chem Lett 15: 2041-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.055 BindingDB Entry DOI: 10.7270/Q2ST7PCW
					More data for this Ligand-Target Pair

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