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Compile Data Set for Download or QSAR

Found 576 hits with Last Name = 'potvain' and Initial = 'f'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0350n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate addition

J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0490n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrate

J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0490n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assay

J Med Chem 59: 10738-10749 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01427
BindingDB Entry DOI: 10.7270/Q27946ND
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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n/an/a 0.0490n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay

J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50513015
PNG
(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
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n/an/a 0.5n/an/an/an/an/an/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))		BDBM50507336
PNG
(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
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n/an/a 1n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.30n/an/an/an/an/an/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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50182422
PNG
(CHEMBL3818650)
Show SMILES COC(CO)Cn1ccc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)
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n/an/a 1.40n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay

J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50513004
PNG
(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
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n/an/a 1.60n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.60n/an/an/an/an/an/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
PNG
(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
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n/an/a 1.60n/an/an/an/an/an/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
PNG
(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
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n/an/a 2n/an/an/an/an/an/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
PNG
(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
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n/an/a 2n/an/an/an/an/an/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))		BDBM50513034
PNG
(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
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n/an/a 2n/an/an/an/an/an/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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50182421
PNG
(CHEMBL3817896)
Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OCCN)-c2ccccc2C)n1
Show InChI InChI=1S/C23H29N3O3S/c1-15-6-4-5-7-19(15)20-12-21(22(10-16(20)2)29-9-8-24)26-23-25-17(14-30-23)11-18(13-27)28-3/h4-7,10,12,14,18,27H,8-9,11,13,24H2,1-3H3,(H,25,26)
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n/an/a 2.40n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay

J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50512998
PNG
(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
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n/an/a 2.5n/an/an/an/an/an/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
PNG
(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
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n/an/a 2.5n/an/an/an/an/an/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
PNG
(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
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n/an/a 2.5n/an/an/an/an/an/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
PNG
(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
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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
PNG
(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
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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


(Homo sapiens (Human))		BDBM50271572
PNG
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1
Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2
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Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)

Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)		BDBM50512997
PNG
(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
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n/an/a 3.20n/an/an/an/an/an/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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50182420
PNG
(CHEMBL3819600)
Show SMILES COC(CO)Cc1csc(Nc2cc(c(C)cc2OC)-c2ccccc2C)n1
Show InChI InChI=1S/C22H26N2O3S/c1-14-7-5-6-8-18(14)19-11-20(21(27-4)9-15(19)2)24-22-23-16(13-28-22)10-17(12-25)26-3/h5-9,11,13,17,25H,10,12H2,1-4H3,(H,23,24)
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n/an/a 3.60n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay

J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50513004
PNG
(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
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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
PNG
(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
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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))		BDBM50507336
PNG
(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
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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))		BDBM50513015
PNG
(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
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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
PNG
(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
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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
PNG
(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
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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


(Homo sapiens (Human))		BDBM50271622
PNG
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Laboratoire GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin)

Bioorg Med Chem 16: 6218-32 (2008)


Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50513007
PNG
(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
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n/an/a 6.30n/an/an/an/an/an/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
PNG
(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
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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))		BDBM50513053
PNG
(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
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n/an/a 6.30n/an/an/an/an/an/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
PNG
(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
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n/an/a 6.40n/an/an/an/an/an/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))		BDBM50513013
PNG
(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
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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
PNG
(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
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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))		BDBM50513053
PNG
(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
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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
PNG
(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
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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
PNG
(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
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n/an/a 8.5n/an/an/an/an/an/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
PNG
(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
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n/an/a 9n/an/an/an/an/an/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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50182419
PNG
(CHEMBL3819444)
Show SMILES COC(CO)Cc1csc(Nc2ccc(C)c(c2)-c2ccccc2C)n1
Show InChI InChI=1S/C21H24N2O2S/c1-14-6-4-5-7-19(14)20-11-16(9-8-15(20)2)22-21-23-17(13-26-21)10-18(12-24)25-3/h4-9,11,13,18,24H,10,12H2,1-3H3,(H,22,23)
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n/an/a 9.5n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assay

J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50513058
PNG
(CHEMBL4526661)
Show SMILES CCC(=O)N1CCC(CC1)C(=O)N1N=CCC1c1ccccc1 |c:14|
Show InChI InChI=1S/C18H23N3O2/c1-2-17(22)20-12-9-15(10-13-20)18(23)21-16(8-11-19-21)14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3
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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))		BDBM50513056
PNG
(CHEMBL4436896)
Show SMILES CC(C)(C)C(=O)N1N=CCC1c1ccc(cc1)S(C)(=O)=O |c:7|
Show InChI InChI=1S/C15H20N2O3S/c1-15(2,3)14(18)17-13(9-10-16-17)11-5-7-12(8-6-11)21(4,19)20/h5-8,10,13H,9H2,1-4H3
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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))		BDBM50513017
PNG
(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
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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))		BDBM50512990
PNG
(CHEMBL4446928)
Show SMILES CC(C)(C)C(=O)N1N=CCC1c1c[nH]cn1 |c:7|
Show InChI InChI=1S/C11H16N4O/c1-11(2,3)10(16)15-9(4-5-14-15)8-6-12-7-13-8/h5-7,9H,4H2,1-3H3,(H,12,13)
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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))		BDBM50513026
PNG
(CHEMBL4452678)
Show SMILES O=C(N1N=CCC1c1ccccc1)c1ccncc1 |c:3|
Show InChI InChI=1S/C15H13N3O/c19-15(13-6-9-16-10-7-13)18-14(8-11-17-18)12-4-2-1-3-5-12/h1-7,9-11,14H,8H2
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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))		BDBM50513047
PNG
(CHEMBL4583157)
Show SMILES O=C(C1CCN(CC1)C(=O)c1cc[nH]n1)N1N=CCC1c1ccccc1 |c:18|
Show InChI InChI=1S/C19H21N5O2/c25-18(24-17(7-11-21-24)14-4-2-1-3-5-14)15-8-12-23(13-9-15)19(26)16-6-10-20-22-16/h1-6,10-11,15,17H,7-9,12-13H2,(H,20,22)
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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))		BDBM50513024
PNG
(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
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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))		BDBM50513046
PNG
(CHEMBL4463322)
Show SMILES FC(F)(F)C(=O)N1CCC(CC1)C(=O)N1N=CCC1c1ccccc1 |c:16|
Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)16(25)22-10-7-13(8-11-22)15(24)23-14(6-9-21-23)12-4-2-1-3-5-12/h1-5,9,13-14H,6-8,10-11H2
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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))		BDBM50513033
PNG
(CHEMBL4454881)
Show SMILES Cc1nnc(o1)N1CCC(CC1)C(=O)N1N=CC[C@H]1c1ccccc1 |r,c:17|
Show InChI InChI=1S/C18H21N5O2/c1-13-20-21-18(25-13)22-11-8-15(9-12-22)17(24)23-16(7-10-19-23)14-5-3-2-4-6-14/h2-6,10,15-16H,7-9,11-12H2,1H3/t16-/m0/s1
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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
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