Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'parrish' and Initial = 'ca'   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of human Aurora B ATP binding site by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora B ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase C (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of human Aurora C ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora B ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220180 (CHEMBL243669 | N-[3-fluoro-4'-(trifluoromethyl)-4-...) Show SMILES NS(=O)(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KSP motor domain by ATPase assay				J Med Chem 50: 4939-52 (2007) Article DOI: 10.1021/jm070435y BindingDB Entry DOI: 10.7270/Q29023H4
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora C ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220182 (CHEMBL390629 | N-[4'-(trifluoromethyl)-4-biphenyly...) Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KSP motor domain by ATPase assay				J Med Chem 50: 4939-52 (2007) Article DOI: 10.1021/jm070435y BindingDB Entry DOI: 10.7270/Q29023H4
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [A356T] (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description wild-type HCT116 selected at 6WT-6x the IC95				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 [A356T] (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description wild-type HCT116 selected at 3 the IC95				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220169 (CHEMBL244933 | N-[4'-(trifluoromethyl)-4-biphenyly...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2S/c1-21(19,20)18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KSP motor domain by ATPase assay				J Med Chem 50: 4939-52 (2007) Article DOI: 10.1021/jm070435y BindingDB Entry DOI: 10.7270/Q29023H4
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of human Aurora A ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...) Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/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	0.460	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36351 (CID148124 | Docetaxel) Show SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39| Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...) Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/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	0.720	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50316497 (CHEMBL1097106 | N-{4-[1-(2,3-Dihydroxypropyl)-4-(1...) Show SMILES OCC(O)Cn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O3/c33-16-20(34)14-32-15-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-8-19(9-7-17)30-26(35)29-18-4-2-1-3-5-18/h1-13,15,20,33-34H,14,16H2,(H,27,28)(H2,29,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50241089 (2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...) Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of Aurora B ATP binding site				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220156 ((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...) Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/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	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for wild-type cells				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316473 (4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1 Show InChI InChI=1S/C32H35N7O/c1-3-33-32(40)35-25-12-10-23(11-13-25)30-28(21-39(4-2)37-30)26-14-15-34-31-27(26)19-29(36-31)24-9-7-8-22(18-24)20-38-16-5-6-17-38/h7-15,18-19,21H,3-6,16-17,20H2,1-2H3,(H,34,36)(H2,33,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316475 (CHEMBL1097191 | N-Ethyl-N'-[4-(1-ethyl-4-{2-[4-(1-...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C32H35N7O/c1-3-33-32(40)35-25-13-11-24(12-14-25)30-28(21-39(4-2)37-30)26-15-16-34-31-27(26)19-29(36-31)23-9-7-22(8-10-23)20-38-17-5-6-18-38/h7-16,19,21H,3-6,17-18,20H2,1-2H3,(H,34,36)(H2,33,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316471 (4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C30H33N7O/c1-5-31-30(38)33-23-13-11-22(12-14-23)28-26(19-37(6-2)35-28)24-15-16-32-29-25(24)17-27(34-29)21-9-7-20(8-10-21)18-36(3)4/h7-17,19H,5-6,18H2,1-4H3,(H,32,34)(H2,31,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316498 (CHEMBL1097454 | N-{4-[1-(3-Hydroxypropyl)-4-(1H-py...) Show SMILES OCCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c33-16-4-15-32-17-23(21-11-13-27-25-22(21)12-14-28-25)24(31-32)18-7-9-20(10-8-18)30-26(34)29-19-5-2-1-3-6-19/h1-3,5-14,17,33H,4,15-16H2,(H,27,28)(H2,29,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316492 (1-(4-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H22N6O/c1-2-31-16-22(20-12-14-26-24-21(20)13-15-27-24)23(30-31)17-8-10-19(11-9-17)29-25(32)28-18-6-4-3-5-7-18/h3-16H,2H2,1H3,(H,26,27)(H2,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316474 (4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1 Show InChI InChI=1S/C32H35N7O/c1-4-39-21-28(30(36-39)23-10-12-25(13-11-23)34-32(40)37(2)3)26-14-15-33-31-27(26)19-29(35-31)24-9-7-8-22(18-24)20-38-16-5-6-17-38/h7-15,18-19,21H,4-6,16-17,20H2,1-3H3,(H,33,35)(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316470 (4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-5-31-30(38)33-23-12-10-21(11-13-23)28-26(19-37(6-2)35-28)24-14-15-32-29-25(24)17-27(34-29)22-9-7-8-20(16-22)18-36(3)4/h7-17,19H,5-6,18H2,1-4H3,(H,32,34)(H2,31,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128366 (US8802864, 132) Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cnccc2c1 |r,wU:10.10,(-3.05,-4.92,;-2.28,-3.59,;-.74,-3.59,;.03,-2.25,;-.74,-.92,;-2.28,-.92,;-3.05,-2.25,;-4.59,-2.25,;-5.5,-1.01,;-5.1,.48,;-3.61,.88,;-2.36,-.03,;-1.12,.88,;-1.59,2.34,;-3.13,2.34,;-.5,3.43,;-.9,4.92,;.98,3.03,;2.07,1.95,;2.47,3.43,;-6.96,-1.48,;-6.96,-3.02,;-5.5,-3.5,;-4.73,-4.83,;1.57,-2.25,;2.34,-3.59,;3.88,-3.59,;4.65,-2.25,;6.19,-2.25,;6.96,-.92,;6.19,.41,;4.65,.41,;3.88,-.92,;2.34,-.92,)| Show InChI InChI=1S/C26H24FN5O2/c27-22-13-19(18-3-4-21-14-28-9-7-20(21)12-18)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)17-1-2-17/h3-7,9,12-14,16-17H,1-2,8,10-11,15H2,(H,30,34)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316496 (CHEMBL1099010 | N-{4-[1-(2-Hydroxyethyl)-4-(1H-pyr...) Show SMILES OCCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C25H22N6O2/c32-15-14-31-16-22(20-10-12-26-24-21(20)11-13-27-24)23(30-31)17-6-8-19(9-7-17)29-25(33)28-18-4-2-1-3-5-18/h1-13,16,32H,14-15H2,(H,26,27)(H2,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (Homo sapiens (Human))	BDBM36350 (6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...) Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1 Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	6.8	n/a
GlaxoSmithKline					Assay Description Cell proliferation assay for ispinesib-resistant DCT116-D130V cell				Nat Chem Biol 3: 722-6 (2007) Article DOI: 10.1038/nchembio.2007.34 BindingDB Entry DOI: 10.7270/Q2PK0DHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50316472 (4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)22-11-13-23(14-12-22)32-30(38)36(4)5)24-15-16-31-29-25(24)17-27(33-29)21-9-7-20(8-10-21)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50316476 (CHEMBL1097521 | N'-[4-(1-Ethyl-4-{2-[4-(1-pyrrolid...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C32H35N7O/c1-4-39-21-28(30(36-39)24-11-13-25(14-12-24)34-32(40)37(2)3)26-15-16-33-31-27(26)19-29(35-31)23-9-7-22(8-10-23)20-38-17-5-6-18-38/h7-16,19,21H,4-6,17-18,20H2,1-3H3,(H,33,35)(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316478 (4-[3-(4-N,N-Dimethylcarbamylaminophenyl)-1-ethyl-1...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C32H35N7O2/c1-4-39-21-28(30(36-39)23-8-10-25(11-9-23)34-32(40)37(2)3)26-12-13-33-31-27(26)19-29(35-31)24-7-5-6-22(18-24)20-38-14-16-41-17-15-38/h5-13,18-19,21H,4,14-17,20H2,1-3H3,(H,33,35)(H,34,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316479 ((4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-py...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C32H35N7O2/c1-3-33-32(40)35-25-11-9-24(10-12-25)30-28(21-39(4-2)37-30)26-13-14-34-31-27(26)19-29(36-31)23-7-5-22(6-8-23)20-38-15-17-41-18-16-38/h5-14,19,21H,3-4,15-18,20H2,1-2H3,(H,34,36)(H2,33,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128362 (US8802864, 42) Show SMILES Cc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2cc[nH]c2c1 |r,wU:10.10,(-2.73,-4.92,;-1.96,-3.59,;-.42,-3.59,;.35,-2.25,;-.42,-.92,;-1.96,-.92,;-2.73,-2.25,;-4.27,-2.25,;-5.17,-1.01,;-4.78,.48,;-3.29,.88,;-2.04,-.03,;-.8,.88,;-1.27,2.34,;-2.81,2.34,;-.18,3.43,;-.58,4.92,;1.3,3.03,;2.39,1.95,;2.79,3.43,;-6.64,-1.48,;-6.64,-3.02,;-5.17,-3.5,;-4.4,-4.83,;1.89,-2.25,;2.66,-3.59,;4.2,-3.59,;4.97,-2.25,;6.48,-1.93,;6.64,-.4,;5.23,.23,;4.2,-.92,;2.66,-.92,)| Show InChI InChI=1S/C26H27N5O2/c1-16-12-20(21-5-2-18-8-10-27-22(18)14-21)6-7-23(16)31-24(28-29-26(31)33)13-17-9-11-30(15-17)25(32)19-3-4-19/h2,5-8,10,12,14,17,19,27H,3-4,9,11,13,15H2,1H3,(H,29,33)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50220180 (CHEMBL243669 | N-[3-fluoro-4'-(trifluoromethyl)-4-...) Show SMILES NS(=O)(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)	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	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human KSP motor domain by ATPase assay				J Med Chem 50: 4939-52 (2007) Article DOI: 10.1021/jm070435y BindingDB Entry DOI: 10.7270/Q29023H4
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316477 (4-[3-(4-N-Ethylcarbamylaminophenyl)-1-ethyl-1H-pyr...) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nn(CC)cc1-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCOCC2)c1 Show InChI InChI=1S/C32H35N7O2/c1-3-33-32(40)35-25-10-8-23(9-11-25)30-28(21-39(4-2)37-30)26-12-13-34-31-27(26)19-29(36-31)24-7-5-6-22(18-24)20-38-14-16-41-17-15-38/h5-13,18-19,21H,3-4,14-17,20H2,1-2H3,(H,34,36)(H2,33,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316481 (4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phen...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C32H34N8O3/c1-2-40-21-27(29(38-40)22-8-10-24(11-9-22)36-32(42)35-23-6-4-3-5-7-23)25-12-13-33-30-26(25)20-28(37-30)31(41)34-14-15-39-16-18-43-19-17-39/h3-13,20-21H,2,14-19H2,1H3,(H,33,37)(H,34,41)(H2,35,36,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50316483 (4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phen...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)C(=O)NCCN1CCN(C)CC1 Show InChI InChI=1S/C33H37N9O2/c1-3-42-22-28(30(39-42)23-9-11-25(12-10-23)37-33(44)36-24-7-5-4-6-8-24)26-13-14-34-31-27(26)21-29(38-31)32(43)35-15-16-41-19-17-40(2)18-20-41/h4-14,21-22H,3,15-20H2,1-2H3,(H,34,38)(H,35,43)(H2,36,37,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50315769 (3-(4-(4-(2-(3-((dimethylamino)methyl)phenyl)-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)N(C)C)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN(C)C)c1 Show InChI InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora B by rapid dilution method				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
					More data for this Ligand-Target Pair
Fatty acid synthase (Homo sapiens (Human))	BDBM128359 (US8802864, 14) Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3ccoc3c2)C1 |r| Show InChI InChI=1S/C25H24N4O3/c30-24(19-2-3-19)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-7-5-17(6-8-21)20-4-1-18-10-12-32-22(18)14-20/h1,4-8,10,12,14,16,19H,2-3,9,11,13,15H2,(H,27,31)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	n/a
GlaxoSmithKline LLC US Patent					Assay Description Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...				US Patent US8802864 (2014) BindingDB Entry DOI: 10.7270/Q2N58K26
					More data for this Ligand-Target Pair

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