Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'mcnulty' and Initial = 'de'   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159507 (CHEMBL3785703) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.800	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 RIP1 (1 to 375 residues) in presence of increasing ATP by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
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))	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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159696 (CHEMBL3786997) Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C22H21N3O3/c1-25-20-10-6-5-9-16(20)11-12-18(22(25)27)23-21(26)19-14-17(28-24-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159693 (CHEMBL3785482) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)C1=O |r| Show InChI InChI=1S/C21H20N4O3/c1-25-18-9-5-6-10-19(18)28-13-17(21(25)27)22-20(26)16-12-15(23-24-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,26)(H,23,24)/t17-/m0/s1	PDB UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Flag-tagged human RIP1 (1 to 324 residues) after 30 mins by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159508 (CHEMBL3786078) Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H20N4O3/c1-25-19-10-6-5-9-16(19)22-13-18(21(25)27)23-20(26)17-12-15(28-24-17)11-14-7-3-2-4-8-14/h2-10,12,18,22H,11,13H2,1H3,(H,23,26)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159697 (CHEMBL3785745) Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O3S/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)26)22-20(25)16-12-15(27-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159507 (CHEMBL3785703) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159507 (CHEMBL3785703) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human WT RIP1 infected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159699 (CHEMBL3787689) Show SMILES O=C(N[C@H]1CNc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H18N4O3/c25-19(17-11-14(27-24-17)10-13-6-2-1-3-7-13)23-18-12-21-15-8-4-5-9-16(15)22-20(18)26/h1-9,11,18,21H,10,12H2,(H,22,26)(H,23,25)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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)
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	6.90	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)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159511 (CHEMBL3786162) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1 |r| Show InChI InChI=1S/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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	8.70	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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159507 (CHEMBL3785703) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159507 (CHEMBL3785703) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence a...				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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	22	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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50446278 (CHEMBL3109202) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1 Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159700 (CHEMBL3786660) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3cccc(c3)C3(N=N3)C(F)(F)F)[nH]n2)C1=O |r,c:27| Show InChI InChI=1S/C23H19F3N6O3/c1-32-18-7-2-3-8-19(18)35-12-17(21(32)34)27-20(33)16-11-15(28-29-16)10-13-5-4-6-14(9-13)22(30-31-22)23(24,25)26/h2-9,11,17H,10,12H2,1H3,(H,27,33)(H,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to Flag-tagged human RIP1 (1 to 324 residues) at 10 uM after 30 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					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	n/a	n/a	36	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)
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	n/a	n/a	36	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)
Lipoprotein lipase (Rattus norvegicus)	BDBM50254432 (1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Lipoprotein lipase (Rattus norvegicus)	BDBM50254434 (5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...) Show SMILES COCCN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1 Show InChI InChI=1S/C16H21N3O5S/c1-12-14(18-16(20)17-13-7-5-4-6-8-13)11-15(24-12)25(21,22)19(2)9-10-23-3/h4-8,11H,9-10H2,1-3H3,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50446278 (CHEMBL3109202) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1 Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of mouse WT RIP1 transfected in HEK293T cells assessed as reduction in S166 phosphorylation by ELISA				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50446278 (CHEMBL3109202) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1 Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to mouse RIP1 (1 to 378 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50254343 ((S)-1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-...) Show SMILES C[C@H](NC(=O)Nc1cc(oc1C)S(=O)(=O)N1CCCCC1)c1ccccc1 |r| Show InChI InChI=1S/C19H25N3O4S/c1-14(16-9-5-3-6-10-16)20-19(23)21-17-13-18(26-15(17)2)27(24,25)22-11-7-4-8-12-22/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3,(H2,20,21,23)/t14-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of endothelial lipase (unknown origin)				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159698 (CHEMBL3785838) Show SMILES O=C(N[C@H]1CS(=O)(=O)c2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O5S/c24-19(16-11-14(28-23-16)10-13-6-2-1-3-7-13)22-17-12-29(26,27)18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay				J Med Chem 59: 2163-78 (2016) Article DOI: 10.1021/acs.jmedchem.5b01898 BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [D130V] (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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87.3	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
Lipoprotein lipase (Rattus norvegicus)	BDBM50254436 (5-Methyl-4-(3-phenyl-ureido)-furan-2-sulfonic acid...) Show SMILES CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)c(C)o1 Show InChI InChI=1S/C14H17N3O4S/c1-10-12(9-13(21-10)22(19,20)17(2)3)16-14(18)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Lipoprotein lipase (Rattus norvegicus)	BDBM50254290 (1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50254290 (1-(2-methyl-5-(piperidin-1-ylsulfonyl)furan-3-yl)-...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of endothelial lipase (unknown origin)				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Lipoprotein lipase (Rattus norvegicus)	BDBM50254340 (1-(4-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-7-5-13(18)6-8-14)11-16(25-12)26(23,24)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Lipoprotein lipase (Rattus norvegicus)	BDBM50254339 (1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...) Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Lipoprotein lipase from adipose tissue of rat				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50254339 (1-(4-methoxyphenyl)-3-(2-methyl-5-(piperidin-1-yls...) Show SMILES COc1ccc(NC(=O)Nc2cc(oc2C)S(=O)(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C18H23N3O5S/c1-13-16(20-18(22)19-14-6-8-15(25-2)9-7-14)12-17(26-13)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of endothelial lipase (unknown origin)				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50254341 (1-(2-chlorophenyl)-3-(2-methyl-5-(piperidin-1-ylsu...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1Cl)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C17H20ClN3O4S/c1-12-15(20-17(22)19-14-8-4-3-7-13(14)18)11-16(25-12)26(23,24)21-9-5-2-6-10-21/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,19,20,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of endothelial lipase (unknown origin)				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair
Endothelial lipase (Homo sapiens (Human))	BDBM50254432 (1-(2-methyl-5-(morpholinosulfonyl)furan-3-yl)-3-ph...) Show SMILES Cc1oc(cc1NC(=O)Nc1ccccc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C16H19N3O5S/c1-12-14(18-16(20)17-13-5-3-2-4-6-13)11-15(24-12)25(21,22)19-7-9-23-10-8-19/h2-6,11H,7-10H2,1H3,(H2,17,18,20)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of endothelial lipase (unknown origin)				Bioorg Med Chem Lett 19: 27-30 (2008) Article DOI: 10.1016/j.bmcl.2008.11.033 BindingDB Entry DOI: 10.7270/Q2BP02NZ
					More data for this Ligand-Target Pair

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