Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'lehr' and Initial = 'r'   

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)
Transporter (Rattus norvegicus)	BDBM50031347 (2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...) Show SMILES CC(N)Cc1cc(O)c(N)cc1O Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Non competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					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)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031347 (2-Amino-5-(2-amino-propyl)-benzene-1,4-diol | CHEM...) Show SMILES CC(N)Cc1cc(O)c(N)cc1O Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-9(13)7(11)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031343 (2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...) Show SMILES NCCc1cc(O)c(N)cc1O Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031341 (4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...) Show SMILES CC(N)Cc1cc(O)c(O)cc1N Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031341 (4-Amino-5-(2-amino-propyl)-benzene-1,2-diol | CHEM...) Show SMILES CC(N)Cc1cc(O)c(O)cc1N Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031343 (2-Amino-5-(2-amino-ethyl)-benzene-1,4-diol | CHEMB...) Show SMILES NCCc1cc(O)c(N)cc1O Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-8(12)6(10)4-7(5)11/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031344 (4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...) Show SMILES NCCc1cc(O)c(O)cc1N Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM81264 (5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...) Show SMILES NCCc1cc(O)c(O)cc1O Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031346 (4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...) Show SMILES NCCc1cc(N)c(O)cc1O Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031342 (5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...) Show SMILES CC(N)Cc1cc(O)c(O)cc1O Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031344 (4-Amino-5-(2-amino-ethyl)-benzene-1,2-diol | CHEMB...) Show SMILES NCCc1cc(O)c(O)cc1N Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031342 (5-(2-Amino-propyl)-benzene-1,2,4-triol | 5-(2-Amin...) Show SMILES CC(N)Cc1cc(O)c(O)cc1O Show InChI InChI=1S/C9H13NO3/c1-5(10)2-6-3-8(12)9(13)4-7(6)11/h3-5,11-13H,2,10H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50031348 (4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...) Show SMILES CC(N)Cc1cc(N)c(O)cc1O Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031346 (4-Amino-6-(2-amino-ethyl)-benzene-1,3-diol | CHEMB...) Show SMILES NCCc1cc(N)c(O)cc1O Show InChI InChI=1S/C8H12N2O2/c9-2-1-5-3-6(10)8(12)4-7(5)11/h3-4,11-12H,1-2,9-10H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM81264 (5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...) Show SMILES NCCc1cc(O)c(O)cc1O Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of norepinephrine				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					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)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50031348 (4-Amino-6-(2-amino-propyl)-benzene-1,3-diol | CHEM...) Show SMILES CC(N)Cc1cc(N)c(O)cc1O Show InChI InChI=1S/C9H14N2O2/c1-5(10)2-6-3-7(11)9(13)4-8(6)12/h3-5,12-13H,2,10-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Evaluated for the Competitive inhibition of uptake of dopamine transporter				J Med Chem 38: 4087-97 (1995) BindingDB Entry DOI: 10.7270/Q2930S73
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233227 (CHEMBL4067372) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O |r| Show InChI InChI=1S/C21H19N3O4/c1-24-17-9-5-6-10-18(17)27-13-16(21(24)26)23-19(25)20-22-12-15(28-20)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,23,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
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	0.0630	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233256 (CHEMBL4093220) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C19H18N6O3/c1-24-15-9-5-6-10-16(15)28-12-14(19(24)27)20-18(26)17-21-23-25(22-17)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,20,26)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
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	0.200	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
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233244 (CHEMBL4068954) Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C23H22N4O5/c1-14(28)24-16-8-9-21-20(11-16)27(2)23(30)19(13-31-21)25-22(29)18-12-17(32-26-18)10-15-6-4-3-5-7-15/h3-9,11-12,19H,10,13H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233248 (CHEMBL4096224) Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1 |r| Show InChI InChI=1S/C23H22N4O6/c1-27-19-11-15(24-23(30)31-2)8-9-20(19)32-13-18(22(27)29)25-21(28)17-12-16(33-26-17)10-14-6-4-3-5-7-14/h3-9,11-12,18H,10,13H2,1-2H3,(H,24,30)(H,25,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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))	BDBM50233225 (CHEMBL4071864) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis at 21 hrs post-st...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233255 (CHEMBL4069318) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O |r| Show InChI InChI=1S/C21H20N4O3/c1-24-18-9-5-6-10-19(18)28-13-17(21(24)27)23-20(26)16-12-25(14-22-16)11-15-7-3-2-4-8-15/h2-10,12,14,17H,11,13H2,1H3,(H,23,26)/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
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233228 (CHEMBL4060644) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O |r| Show InChI InChI=1S/C22H22N4O3/c1-25-19-10-6-7-11-20(19)29-14-18(22(25)28)23-21(27)17-13-16(26(2)24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233230 (CHEMBL4099004) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H18N4O4/c1-24-15-9-5-6-10-16(15)27-12-14(20(24)26)21-19(25)18-22-17(28-23-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,25)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233226 (CHEMBL4089558) Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C23H19N5O6/c1-28-18-10-14(21-25-26-23(31)33-21)7-8-19(18)32-12-17(22(28)30)24-20(29)16-11-15(34-27-16)9-13-5-3-2-4-6-13/h2-8,10-11,17H,9,12H2,1H3,(H,24,29)(H,26,31)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233225 (CHEMBL4071864) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-MIP-1beta production at 21 hrs post-s...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233240 (CHEMBL4065561) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O |r| Show InChI InChI=1S/C20H19N5O3/c1-24-16-9-5-6-10-17(16)28-12-15(20(24)27)22-19(26)18-21-13-25(23-18)11-14-7-3-2-4-8-14/h2-10,13,15H,11-12H2,1H3,(H,22,26)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50233249 (CHEMBL4081685) Show SMILES CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O |r| Show InChI InChI=1S/C22H22N4O6S/c1-26-19-11-15(25-33(2,29)30)8-9-20(19)31-13-18(22(26)28)23-21(27)17-12-16(32-24-17)10-14-6-4-3-5-7-14/h3-9,11-12,18,25H,10,13H2,1-2H3,(H,23,27)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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))	BDBM50233229 (CHEMBL4088857) Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O |r| Show InChI InChI=1S/C20H18N4O4/c1-24-15-9-5-6-10-16(15)27-12-14(20(24)26)21-18(25)19-23-22-17(28-19)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,25)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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
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
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) Article DOI: 10.1021/acs.jmedchem.6b01751 BindingDB Entry DOI: 10.7270/Q2SQ92NR
					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)

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