Compile Data Set for Download or QSAR

Found 793 hits with Last Name = 'fouchet' and Initial = 'mh'   

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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525914 (CHEMBL4558285) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>0.316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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	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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525895 (CHEMBL4447752) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-5 (Homo sapiens (Human))	BDBM50525899 (CHEMBL4465265) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525904 (CHEMBL4461533) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2cc(Cl)c(F)cc2B(O)O1 Show InChI InChI=1S/C21H18BClFN3O3.ClH/c23-17-6-14-8-19(30-22(28)16(14)9-18(17)24)13-3-4-15(21(25)26)20(7-13)29-11-12-2-1-5-27-10-12;/h1-7,9-10,19,28H,8,11H2,(H3,25,26);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525912 (CHEMBL4543039) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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))	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))	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))	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
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))	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 (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))	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))	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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525918 (CHEMBL4473069) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1 Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)15-4-6-16-18(10-15)23(30)32-20(16)9-13-3-5-17(21(27)28)19(8-13)31-12-14-2-1-7-29-11-14;/h1-8,10-11,20,30H,9,12H2,(H3,27,28);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50271572 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/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 (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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525895 (CHEMBL4447752) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(cc2B(O)O1)C(F)(F)F Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50151347 (2-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-n...) Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccc2ncccc2n1 Show InChI InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	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 recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells				J Med Chem 47: 4494-506 (2004) Article DOI: 10.1021/jm0400247 BindingDB Entry DOI: 10.7270/Q2VQ325T
					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))	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))	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))	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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525905 (CHEMBL4517343) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-17-6-3-4-14(10-17)13-28-21-12-16(8-9-18(21)22(25)26)20-11-15-5-1-2-7-19(15)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525914 (CHEMBL4558285) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50525905 (CHEMBL4517343) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccc(Cl)c1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-17-6-3-4-14(10-17)13-28-21-12-16(8-9-18(21)22(25)26)20-11-15-5-1-2-7-19(15)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H	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 C-terminal 6-His-tagged KLKB1 (G20-A638 residues) expressed in mouse NS0 cells using PFR-AMC as substrate incubated for 40 mins b...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-5 (Homo sapiens (Human))	BDBM50525899 (CHEMBL4465265) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m0./s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Lanosterol synthase (Homo sapiens (Human))	BDBM50271622 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50151362 (4-(6-Methyl-pyridin-2-yl)-5-[1,5]naphthyridin-2-yl...) Show SMILES Cc1cccc(n1)-c1nc(N)sc1-c1ccc2ncccc2n1 Show InChI InChI=1S/C17H13N5S/c1-10-4-2-5-13(20-10)15-16(23-17(18)22-15)14-8-7-11-12(21-14)6-3-9-19-11/h2-9H,1H3,(H2,18,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant Activin A receptor type II-like kinase (ALK5) expressed in baculovirus/Sf9 cells				J Med Chem 47: 4494-506 (2004) Article DOI: 10.1021/jm0400247 BindingDB Entry DOI: 10.7270/Q2VQ325T
					More data for this Ligand-Target Pair
Kallikrein-8 (Homo sapiens (Human))	BDBM50525914 (CHEMBL4558285) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F |r| Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)16-5-3-14-8-19(32-23(30)18(14)10-16)15-4-6-17(21(27)28)20(9-15)31-12-13-2-1-7-29-11-13;/h1-7,9-11,19,30H,8,12H2,(H3,27,28);1H/t19-;/m1./s1	PDB KEGG 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 recombinant human C-terminal 10-His-tagged KLK8 (Gln29 to Gly260 residues) expressed in mouse NS0 cells using BOC-VPR-AMC as substrate ...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525912 (CHEMBL4543039) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525903 (CHEMBL4436048) Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3ccccc23)cc1OCc1cccnc1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-14(10-19(17)27-13-15-4-3-9-25-12-15)11-20-16-5-1-2-6-18(16)22(26)28-20;/h1-10,12,20,26H,11,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-5 (Homo sapiens (Human))	BDBM50525917 (CHEMBL4579813) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C21H20BN3O3.ClH/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19;/h1-9,11-12,19,26H,10,13H2,(H3,23,24);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525897 (CHEMBL4536142) Show SMILES Cl.Cc1ccc2B(O)OC(Cc3ccc(C(N)=N)c(OCc4cccnc4)c3)c2c1 Show InChI InChI=1S/C22H22BN3O3.ClH/c1-14-4-7-19-18(9-14)21(29-23(19)27)11-15-5-6-17(22(24)25)20(10-15)28-13-16-3-2-8-26-12-16;/h2-10,12,21,27H,11,13H2,1H3,(H3,24,25);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					More data for this Ligand-Target Pair
Kallikrein-5 (Homo sapiens (Human))	BDBM50525911 (CHEMBL4535907) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1ccccc1Cl)C1Cc2ccccc2B(O)O1 Show InChI InChI=1S/C22H20BClN2O3.ClH/c24-19-8-4-2-6-16(19)13-28-21-12-15(9-10-17(21)22(25)26)20-11-14-5-1-3-7-18(14)23(27)29-20;/h1-10,12,20,27H,11,13H2,(H3,25,26);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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
Kallikrein-5 (Homo sapiens (Human))	BDBM50525913 (CHEMBL4464120) Show SMILES Cl.NC(=N)c1ccc(cc1OCc1cccnc1)C1Cc2ccc(F)cc2B(O)O1 Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-16-5-3-14-8-19(29-22(27)18(14)10-16)15-4-6-17(21(24)25)20(9-15)28-12-13-2-1-7-26-11-13;/h1-7,9-11,19,27H,8,12H2,(H3,24,25);1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126675 BindingDB Entry DOI: 10.7270/Q2571GG1
					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

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