Compile Data Set for Download or QSAR
Found 89 Enz. Inhib. hit(s) with all data for entry = 50049028
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233227(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O
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
Affinity DataIC50: 0.0500nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159697(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 0.0630nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233256(CHEMBL4093220)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 0.0790nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159696(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 0.200nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233244(CHEMBL4068954)
Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 0.320nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233248(CHEMBL4096224)
Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1
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
Affinity DataIC50: 0.320nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233228(CHEMBL4060644)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O
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
Affinity DataIC50: 0.400nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 0.400nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233255(CHEMBL4069318)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O
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
Affinity DataIC50: 0.400nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233226(CHEMBL4089558)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1
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
Affinity DataIC50: 0.5nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233230(CHEMBL4099004)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 0.5nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 0.5nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233240(CHEMBL4065561)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 0.630nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233249(CHEMBL4081685)
Show SMILES CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 0.630nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233229(CHEMBL4088857)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O
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
Affinity DataIC50: 0.790nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159508(CHEMBL3786078)
Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 0.790nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233227(CHEMBL4067372)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncc(Cc3ccccc3)o2)C1=O
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
Affinity DataIC50: 1nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233252(CHEMBL4080978)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1=O
Show InChI InChI=1S/C20H19N5O3/c1-24-17-9-5-6-10-18(17)28-13-16(20(24)27)21-19(26)15-12-25(23-22-15)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,21,26)/t16-/m0/s1
Affinity DataIC50: 1nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 1nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233250(CHEMBL4099698)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1
Show InChI InChI=1S/C24H21N5O4/c1-29-21-12-16(18-9-10-25-27-18)7-8-22(21)32-14-20(24(29)31)26-23(30)19-13-17(33-28-19)11-15-5-3-2-4-6-15/h2-10,12-13,20H,11,14H2,1H3,(H,25,27)(H,26,30)/t20-/m0/s1
Affinity DataIC50: 1nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233240(CHEMBL4065561)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2ncn(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 1.60nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 1.60nMAssay Description:Inhibition of RIP1 in human primary neutrophils assessed as reduction in TNFalpha/QCD-OPh/SMAC mimetic RMT 5265-induced necroptosis by measuring cell...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 2nMAssay Description:Inhibition of RIP1 in human whole blood assessed as reduction in TNFalpha/QCD-OPh/zVAD FMK/SMAC mimetic RMT 5265-MIP-1beta production after 6 hrs by ...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233241(CHEMBL4071080)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)ccn2)C1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-20-9-5-6-10-21(20)29-15-19(23(26)28)25-22(27)18-14-17(11-12-24-18)13-16-7-3-2-4-8-16/h2-12,14,19H,13,15H2,1H3,(H,25,27)/t19-/m0/s1
Affinity DataIC50: 2nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159697(CHEMBL3785745)
Show SMILES CN1c2ccccc2SC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 2nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233256(CHEMBL4093220)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnn(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 2.5nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233226(CHEMBL4089558)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1n[nH]c(=O)o1
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
Affinity DataIC50: 3.20nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233230(CHEMBL4099004)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2noc(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 5nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233242(CHEMBL4069959)
Show SMILES CN1C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C(=O)N(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-25-14-18(22(28)26(2)20-11-7-6-10-19(20)25)23-21(27)17-13-16(29-24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1
Affinity DataIC50: 5nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159696(CHEMBL3786997)
Show SMILES CN1c2ccccc2CC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 6.30nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233250(CHEMBL4099698)
Show SMILES CN1c2cc(ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O)-c1cc[nH]n1
Show InChI InChI=1S/C24H21N5O4/c1-29-21-12-16(18-9-10-25-27-18)7-8-22(21)32-14-20(24(29)31)26-23(30)19-13-17(33-28-19)11-15-5-3-2-4-6-15/h2-10,12-13,20H,11,14H2,1H3,(H,25,27)(H,26,30)/t20-/m0/s1
Affinity DataIC50: 6.30nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 6.30nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233255(CHEMBL4069318)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)cn2)C1=O
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
Affinity DataIC50: 6.30nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233229(CHEMBL4088857)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2nnc(Cc3ccccc3)o2)C1=O
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
Affinity DataIC50: 7.90nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233244(CHEMBL4068954)
Show SMILES CN1c2cc(NC(C)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 7.90nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233228(CHEMBL4060644)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O
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
Affinity DataIC50: 10nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233248(CHEMBL4096224)
Show SMILES COC(=O)Nc1ccc2OC[C@H](NC(=O)c3cc(Cc4ccccc4)on3)C(=O)N(C)c2c1
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
Affinity DataIC50: 10nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233249(CHEMBL4081685)
Show SMILES CN1c2cc(NS(C)(=O)=O)ccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 13nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233225(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O
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
Affinity DataIC50: 16nMAssay Description:Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159512(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
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
Affinity DataIC50: 16nMAssay 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...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233242(CHEMBL4069959)
Show SMILES CN1C[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C(=O)N(C)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-25-14-18(22(28)26(2)20-11-7-6-10-19(20)25)23-21(27)17-13-16(29-24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233252(CHEMBL4080978)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cn(Cc3ccccc3)nn2)C1=O
Show InChI InChI=1S/C20H19N5O3/c1-24-17-9-5-6-10-18(17)28-13-16(20(24)27)21-19(26)15-12-25(23-22-15)11-14-7-3-2-4-8-14/h2-10,12,16H,11,13H2,1H3,(H,21,26)/t16-/m0/s1
Affinity DataIC50: 25nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159512(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
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
Affinity DataIC50: 32nMAssay Description:Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159508(CHEMBL3786078)
Show SMILES CN1c2ccccc2NC[C@H](NC(=O)c2cc(Cc3ccccc3)on2)C1=O
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
Affinity DataIC50: 40nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233241(CHEMBL4071080)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)ccn2)C1=O
Show InChI InChI=1S/C23H21N3O3/c1-26-20-9-5-6-10-21(20)29-15-19(23(26)28)25-22(27)18-14-17(11-12-24-18)13-16-7-3-2-4-8-16/h2-12,14,19H,13,15H2,1H3,(H,25,27)/t19-/m0/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233231(CHEMBL4096551)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1=O
Show InChI InChI=1S/C21H20N4O3/c1-24-18-9-5-6-10-19(18)28-14-17(21(24)27)23-20(26)16-11-22-25(13-16)12-15-7-3-2-4-8-15/h2-11,13,17H,12,14H2,1H3,(H,23,26)/t17-/m0/s1
Affinity DataIC50: 63nMAssay Description:Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233247(CHEMBL4062496)
Show SMILES CCCCCc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-8-13-11-14(21-26-13)18(23)20-15-12-25-17-10-7-6-9-16(17)22(2)19(15)24/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,20,23)/t15-/m0/s1
Affinity DataIC50: 100nMAssay Description:Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233247(CHEMBL4062496)
Show SMILES CCCCCc1cc(no1)C(=O)N[C@H]1COc2ccccc2N(C)C1=O
Show InChI InChI=1S/C19H23N3O4/c1-3-4-5-8-13-11-14(21-26-13)18(23)20-15-12-25-17-10-7-6-9-16(17)22(2)19(15)24/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,20,23)/t15-/m0/s1
Affinity DataIC50: 126nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50233236(CHEMBL4098676)
Show SMILES O=C(N[C@H]1CCOc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1S/C21H19N3O4/c25-20-17(10-11-27-19-9-5-4-8-16(19)22-20)23-21(26)18-13-15(28-24-18)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,22,25)(H,23,26)/t17-/m0/s1
Affinity DataIC50: 200nMAssay Description:Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...More data for this Ligand-Target Pair
TargetReceptor-interacting serine/threonine-protein kinase 1(Homo sapiens (Human))
Queen Mary University of London

Curated by ChEMBL
LigandPNGBDBM50159512(CHEMBL3786293)
Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
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
Affinity DataIC50: 200nMAssay Description:Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...More data for this Ligand-Target Pair
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