Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'jigorel' and Initial = 'e'   

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))	BDBM50513015 (CHEMBL4537171) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1cccc(F)c1 |c:7| Show InChI InChI=1S/C14H17FN2O/c1-14(2,3)13(18)17-12(7-8-16-17)10-5-4-6-11(15)9-10/h4-6,8-9,12H,7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50108877 ((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50507336 (CHEMBL4514271) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cc(ncn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50450450 (CHEMBL4172614) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C13H13FN2O3S/c14-10-8-11(20(18,19)16-6-1-2-7-16)9-4-3-5-15-12(9)13(10)17/h3-5,8,17H,1-2,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in pre...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50450447 (CHEMBL4171117) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H9F2NO3S/c16-9-3-5-10(6-4-9)22(20,21)13-8-12(17)15(19)14-11(13)2-1-7-18-14/h1-8,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in pre...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50108877 ((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...) Show SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin)				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50450448 (CHEMBL4176008) Show SMILES Oc1c(Cl)cc(c2cccnc12)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C14H14ClNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in pre...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Catechol O-methyltransferase (Rattus norvegicus (Rat))	BDBM50450452 (CHEMBL4167128) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C14H14FNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged rat MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in pre...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513040 (CHEMBL4593226) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1cc(F)cc(F)c1 |c:7| Show InChI InChI=1S/C14H16F2N2O/c1-14(2,3)13(19)18-12(4-5-17-18)9-6-10(15)8-11(16)7-9/h5-8,12H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513011 (CHEMBL4455042) Show SMILES O=C(C1CCN(CC1)c1ncccn1)N1N=CC[C@H]1c1ccccc1 |r,c:17| Show InChI InChI=1S/C19H21N5O/c25-18(24-17(7-12-22-24)15-5-2-1-3-6-15)16-8-13-23(14-9-16)19-20-10-4-11-21-19/h1-6,10-12,16-17H,7-9,13-14H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513004 (CHEMBL4521353) Show SMILES CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1 |r,c:7| Show InChI InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513024 (CHEMBL4471642) Show SMILES O=C(C1CCCCC1)N1N=CCC1c1ccccc1 |c:10| Show InChI InChI=1S/C16H20N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1,3-4,7-8,12,14-15H,2,5-6,9-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513016 (CHEMBL4514028) Show SMILES Cc1ccc(cc1F)C1CC=NN1C(=O)C(C)(C)C |c:11| Show InChI InChI=1S/C15H19FN2O/c1-10-5-6-11(9-12(10)16)13-7-8-17-18(13)14(19)15(2,3)4/h5-6,8-9,13H,7H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513013 (CHEMBL4450890) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cnc(cn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-12-24-17(10-23)11-25-19/h4,7-9,11-13,18H,1-3,5-6H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450452 (CHEMBL4167128) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C14H14FNO3S/c15-11-8-12(20(18,19)9-4-1-2-5-9)10-6-3-7-16-13(10)14(11)17/h3,6-9,17H,1-2,4-5H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450454 (CHEMBL4174978) Show SMILES Oc1ccc(c2cccnc12)S(=O)(=O)N1CCCC1Cc1ccccc1 Show InChI InChI=1S/C20H20N2O3S/c23-18-10-11-19(17-9-4-12-21-20(17)18)26(24,25)22-13-5-8-16(22)14-15-6-2-1-3-7-15/h1-4,6-7,9-12,16,23H,5,8,13-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513034 (CHEMBL4541955) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccnc(n1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)17-1-6-25-28(17)20(29)13-3-7-27(8-4-13)19-2-5-24-18(12-23)26-19/h2,5-6,9-11,13,17H,1,3-4,7-8H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513016 (CHEMBL4514028) Show SMILES Cc1ccc(cc1F)C1CC=NN1C(=O)C(C)(C)C |c:11| Show InChI InChI=1S/C15H19FN2O/c1-10-5-6-11(9-12(10)16)13-7-8-17-18(13)14(19)15(2,3)4/h5-6,8-9,13H,7H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513034 (CHEMBL4541955) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccnc(n1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)17-1-6-25-28(17)20(29)13-3-7-27(8-4-13)19-2-5-24-18(12-23)26-19/h2,5-6,9-11,13,17H,1,3-4,7-8H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50512996 (CHEMBL4454462) Show SMILES O=C(C1CCN(CC1)c1ccccn1)N1N=CC[C@H]1c1ccccc1 |r,c:17| Show InChI InChI=1S/C20H22N4O/c25-20(24-18(9-13-22-24)16-6-2-1-3-7-16)17-10-14-23(15-11-17)19-8-4-5-12-21-19/h1-8,12-13,17-18H,9-11,14-15H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513030 (CHEMBL4548784) Show SMILES O=C(C1CCN(CC1)C(=O)c1cnco1)N1N=CC[C@H]1c1ccccc1 |r,c:18| Show InChI InChI=1S/C19H20N4O3/c24-18(23-16(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)17-12-20-13-26-17/h1-5,9,12-13,15-16H,6-8,10-11H2/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50512998 (CHEMBL4575848) Show SMILES O=C(C1CCN(CC1)C(=O)c1ccccn1)N1N=CCC1c1ccccc1 |c:19| Show InChI InChI=1S/C21H22N4O2/c26-20(25-19(9-13-23-25)16-6-2-1-3-7-16)17-10-14-24(15-11-17)21(27)18-8-4-5-12-22-18/h1-8,12-13,17,19H,9-11,14-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Mus musculus)	BDBM50512997 (CHEMBL4545939) Show SMILES Cc1nnc(o1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(F)c1 |r,c:17| Show InChI InChI=1S/C18H19F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h5,8-10,12,16H,2-4,6-7H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE 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 Inhibition of RIP1 in mouse L929 cells assessed as reduction in TNF/zVAD.fmk-induced necrotic death measured after 24 hrs by cell titer-glo luminesce...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450473 (CHEMBL4170443) Show SMILES Oc1ccc(c2cccnc12)S(=O)(=O)N1CCC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN2O3S/c20-15-5-3-13(4-6-15)14-9-11-22(12-14)26(24,25)18-8-7-17(23)19-16(18)2-1-10-21-19/h1-8,10,14,23H,9,11-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450447 (CHEMBL4171117) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H9F2NO3S/c16-9-3-5-10(6-4-9)22(20,21)13-8-12(17)15(19)14-11(13)2-1-7-18-14/h1-8,19H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513015 (CHEMBL4537171) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1cccc(F)c1 |c:7| Show InChI InChI=1S/C14H17FN2O/c1-14(2,3)13(18)17-12(7-8-16-17)10-5-4-6-11(15)9-10/h4-6,8-9,12H,7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450450 (CHEMBL4172614) Show SMILES Oc1c(F)cc(c2cccnc12)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C13H13FN2O3S/c14-10-8-11(20(18,19)16-6-1-2-7-16)9-4-3-5-15-12(9)13(10)17/h3-5,8,17H,1-2,6-7H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50507336 (CHEMBL4514271) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cc(ncn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h4,7-10,12-13,18H,1-3,5-6H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513004 (CHEMBL4521353) Show SMILES CC(C)(C)C(=O)N1N=CC[C@H]1c1ccccc1 |r,c:7| Show InChI InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513007 (CHEMBL4436215) Show SMILES Cc1ccc(cc1)C1CC=NN1C(=O)C(C)(C)C |c:10| Show InChI InChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)13-9-10-16-17(13)14(18)15(2,3)4/h5-8,10,13H,9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513000 (CHEMBL4446915) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1ccccc1 |c:7| Show InChI InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513054 (CHEMBL4443534) Show SMILES O=C(C1CCN(CC1)c1ccncn1)N1N=CC[C@H]1c1ccccc1 |r,c:17| Show InChI InChI=1S/C19H21N5O/c25-19(24-17(6-11-22-24)15-4-2-1-3-5-15)16-8-12-23(13-9-16)18-7-10-20-14-21-18/h1-5,7,10-11,14,16-17H,6,8-9,12-13H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513041 (CHEMBL4576386) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C14H17ClN2O/c1-14(2,3)13(18)17-12(8-9-16-17)10-4-6-11(15)7-5-10/h4-7,9,12H,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50529561 (CHEMBL4462175) Show SMILES Cc1cccc(C)c1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C17H20N2O2/c1-12-4-3-5-13(2)15(12)10-18-6-7-19-11-17(21)16(20)8-14(19)9-18/h3-5,8,11,21H,6-7,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450465 (CHEMBL4177089) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(F)c(O)c2ncccc12 Show InChI InChI=1S/C16H12FNO3S/c1-10-4-6-11(7-5-10)22(20,21)14-9-13(17)16(19)15-12(14)3-2-8-18-15/h2-9,19H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513053 (CHEMBL4584779) Show SMILES O=C(C1CCN(CC1)C(=O)c1cocn1)N1N=CCC1c1ccccc1 |c:18| Show InChI InChI=1S/C19H20N4O3/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450468 (CHEMBL4169861) Show SMILES Oc1ccc(c2cccnc12)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C14H15NO3S/c16-12-7-8-13(11-6-3-9-15-14(11)12)19(17,18)10-4-1-2-5-10/h3,6-10,16H,1-2,4-5H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513007 (CHEMBL4436215) Show SMILES Cc1ccc(cc1)C1CC=NN1C(=O)C(C)(C)C |c:10| Show InChI InChI=1S/C15H20N2O/c1-11-5-7-12(8-6-11)13-9-10-16-17(13)14(18)15(2,3)4/h5-8,10,13H,9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513040 (CHEMBL4593226) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1cc(F)cc(F)c1 |c:7| Show InChI InChI=1S/C14H16F2N2O/c1-14(2,3)13(19)18-12(4-5-17-18)9-6-10(15)8-11(16)7-9/h5-8,12H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513053 (CHEMBL4584779) Show SMILES O=C(C1CCN(CC1)C(=O)c1cocn1)N1N=CCC1c1ccccc1 |c:18| Show InChI InChI=1S/C19H20N4O3/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Lanosterol synthase (Rattus norvegicus)	BDBM50450462 (CHEMBL4160303) Show SMILES Oc1ccc(c2cccnc12)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C13H14N2O3S/c16-11-5-6-12(10-4-3-7-14-13(10)11)19(17,18)15-8-1-2-9-15/h3-7,16H,1-2,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513013 (CHEMBL4450890) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1cnc(cn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-12-24-17(10-23)11-25-19/h4,7-9,11-13,18H,1-3,5-6H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513012 (CHEMBL4561445) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccc(nn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)18-3-6-24-28(18)20(29)13-4-7-27(8-5-13)19-2-1-17(12-23)25-26-19/h1-2,6,9-11,13,18H,3-5,7-8H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513000 (CHEMBL4446915) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1ccccc1 |c:7| Show InChI InChI=1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50512997 (CHEMBL4545939) Show SMILES Cc1nnc(o1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1cc(F)cc(F)c1 |r,c:17| Show InChI InChI=1S/C18H19F2N5O2/c1-11-22-23-18(27-11)24-6-3-12(4-7-24)17(26)25-16(2-5-21-25)13-8-14(19)10-15(20)9-13/h5,8-10,12,16H,2-4,6-7H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIP1 in human whole blood assessed as reduction in TNFalpha/zVAD-fmk/SMAC-induced MIP1alpha production measured after 6 hrs by ELISA				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513017 (CHEMBL4556131) Show SMILES CC(C)(C)C(=O)N1N=CCC1c1cccc(Cl)c1 |c:7| Show InChI InChI=1S/C14H17ClN2O/c1-14(2,3)13(18)17-12(7-8-16-17)10-5-4-6-11(15)9-10/h4-6,8-9,12H,7H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50512991 (CHEMBL4457026) Show SMILES O=C(C1CCCC1)N1N=CCC1c1ccccc1 |c:9| Show InChI InChI=1S/C15H18N2O/c18-15(13-8-4-5-9-13)17-14(10-11-16-17)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513051 (CHEMBL4474301) Show SMILES O=C(C1CCOCC1)N1N=CCC1c1ccccc1 |c:10| Show InChI InChI=1S/C15H18N2O2/c18-15(13-7-10-19-11-8-13)17-14(6-9-16-17)12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513045 (CHEMBL4474937) Show SMILES O=C(C1CCOC1)N1N=CCC1c1ccccc1 |c:9| Show InChI InChI=1S/C14H16N2O2/c17-14(12-7-9-18-10-12)16-13(6-8-15-16)11-4-2-1-3-5-11/h1-5,8,12-13H,6-7,9-10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50512992 (CHEMBL4519892) Show SMILES O=C(N1N=CCC1c1ccccc1)c1ccccn1 |c:3| Show InChI InChI=1S/C15H13N3O/c19-15(13-8-4-5-10-16-13)18-14(9-11-17-18)12-6-2-1-3-7-12/h1-8,10-11,14H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318 BindingDB Entry DOI: 10.7270/Q24J0JFT
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 302 total )  |  Next  |  Last  >>

Jump to: