Compile Data Set for Download or QSAR

Found 1406 hits with Last Name = 'neitz' and Initial = 'rj'   

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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50558084 (CHEMBL4799933) Show SMILES Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Uncompetitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00396 BindingDB Entry DOI: 10.7270/Q2930XVT
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50558084 (CHEMBL4799933) Show SMILES Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of recombinant human full length Avi-tagged p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2(DE3) using 20 uM A...				Citation and Details Article DOI: 10.1021/acsmedchemlett.5b00396 BindingDB Entry DOI: 10.7270/Q2930XVT
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282619 (US9884828, 2-114) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(nnc2c1)C(N)=O Show InChI InChI=1S/C18H16N4O2/c1-22(2)18(24)12-5-3-11(4-6-12)13-7-8-14-10-16(17(19)23)21-20-15(14)9-13/h3-10H,1-2H3,(H2,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428701 (CHEMBL2333115 | US9884828, 2-127) Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428716 (CHEMBL2333128 | US9884828, 2-41) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428717 (CHEMBL2333127 | US9884828, 2-37) Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r| Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282625 (US9884828, 2-120) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc2CC(=O)Nc2c1)C(N)=O)C1CC1 Show InChI InChI=1S/C22H21N5O2/c1-11(12-2-3-12)24-20-16-7-6-14(9-18(16)26-27-21(20)22(23)29)13-4-5-15-10-19(28)25-17(15)8-13/h4-9,11-12H,2-3,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282670 (US9884828, 9-213) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOC1=O)C(N)=O)C1CC1 Show InChI InChI=1S/C23H23N5O3/c1-13(14-2-3-14)25-20-18-9-6-16(12-19(18)26-27-21(20)22(24)29)15-4-7-17(8-5-15)28-10-11-31-23(28)30/h4-9,12-14H,2-3,10-11H2,1H3,(H2,24,29)(H,25,26)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282606 (US9884828, 2-101) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O)C1CC1 Show InChI InChI=1S/C18H20N6O/c1-10(11-3-4-11)21-16-14-6-5-12(13-8-20-24(2)9-13)7-15(14)22-23-17(16)18(19)25/h5-11H,3-4H2,1-2H3,(H2,19,25)(H,21,22)/t10-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282616 (US9884828, 2-111) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc(c1)S(C)(=O)=O)C(N)=O)C1CC1 Show InChI InChI=1S/C21H22N4O3S/c1-12(13-6-7-13)23-19-17-9-8-15(11-18(17)24-25-20(19)21(22)26)14-4-3-5-16(10-14)29(2,27)28/h3-5,8-13H,6-7H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438363 (CHEMBL2408751) Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428703 (CHEMBL2333113 | US9884828, 2-100) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438362 (CHEMBL2408752) Show SMILES CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282626 (US9884828, 2-121) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1cccc2CC(=O)Nc12)C(N)=O)C1CC1 Show InChI InChI=1S/C22H21N5O2/c1-11(12-5-6-12)24-20-16-8-7-13(9-17(16)26-27-21(20)22(23)29)15-4-2-3-14-10-18(28)25-19(14)15/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,23,29)(H,24,26)(H,25,28)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50126127 (CHEMBL3628943) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r| Show InChI InChI=1S/C29H33F4N7O2/c1-3-4-9-22(23(41)17-42-28-26(32)20(30)14-21(31)27(28)33)40-16-24(37-38-40)29(2,18-7-5-6-8-18)34-15-19-11-13-39-25(36-19)10-12-35-39/h10-14,16,18,22,34H,3-9,15,17H2,1-2H3/t22?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 25: 4834-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50338292 (CHEMBL1682014 | N-(4-chloro-3-(1H-1,2,4-triazol-5-...) Show SMILES Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50338292 (CHEMBL1682014 | N-(4-chloro-3-(1H-1,2,4-triazol-5-...) Show SMILES Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438361 (CHEMBL2408753) Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436720 (CHEMBL2401963) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50126138 (CHEMBL3628938) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncsc2c1)C1CCCC1 |r| Show InChI InChI=1S/C30H33F4N5O2S/c1-3-4-9-23(24(40)16-41-29-27(33)20(31)13-21(32)28(29)34)39-15-26(37-38-39)30(2,19-7-5-6-8-19)36-14-18-10-11-22-25(12-18)42-17-35-22/h10-13,15,17,19,23,36H,3-9,14,16H2,1-2H3/t23?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant cruzain using Z-FR-AMC as substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 25: 4834-7 (2015) Article DOI: 10.1016/j.bmcl.2015.06.066 BindingDB Entry DOI: 10.7270/Q2H133TR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50338293 (CHEMBL1682015 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...) Show SMILES O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H14N6O2S/c19-7-12-9-27-18(16(12)17-20-10-21-23-17)22-14(25)8-24-13-4-2-1-3-11(13)5-6-15(24)26/h1-4,9-10H,5-6,8H2,(H,22,25)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428701 (CHEMBL2333115 | US9884828, 2-127) Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438360 (CHEMBL2408755) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(7-8-28)35-26-6-5-18(11-22(24)26)14-27(2,3)4/h5-6,9-11,13,23-25,31,34H,7-8,12,14-16H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1	PDB MMDB NCI pathway 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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282617 (US9884828, 2-112) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(=O)n(C)c1)C(N)=O)C1CC1 Show InChI InChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-7-5-13(14-6-8-17(26)25(2)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428716 (CHEMBL2333128 | US9884828, 2-41) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428703 (CHEMBL2333113 | US9884828, 2-100) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1 |r| Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282607 (US9884828, 2-102) Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc2cc(nnc2c1)C(N)=O Show InChI InChI=1S/C18H16N4O2/c1-22(2)18(24)14-5-3-4-11(8-14)12-6-7-13-10-16(17(19)23)21-20-15(13)9-12/h3-10H,1-2H3,(H2,19,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428717 (CHEMBL2333127 | US9884828, 2-37) Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O |r| Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<6	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436742 (CHEMBL2402081) Show SMILES CC[C@H]1N(c2ccn(C)n2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H21FN8O/c1-4-16-21(32)29(3)17-13-25-22(26-20(17)31(16)18-9-11-28(2)27-18)30-12-10-24-19(30)14-5-7-15(23)8-6-14/h5-13,16H,4H2,1-3H3/t16-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50338264 (CHEMBL1682018 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...) Show SMILES O=C(Cc1cccc2cnccc12)Nc1scc(C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H12N6OS/c19-7-13-9-26-18(16(13)17-21-10-22-24-17)23-15(25)6-11-2-1-3-12-8-20-5-4-14(11)12/h1-5,8-10H,6H2,(H,23,25)(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50338293 (CHEMBL1682015 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...) Show SMILES O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H14N6O2S/c19-7-12-9-27-18(16(12)17-20-10-21-23-17)22-14(25)8-24-13-4-2-1-3-11(13)5-6-15(24)26/h1-4,9-10H,5-6,8H2,(H,22,25)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282627 (US9884828, 2-122) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccn(C)c(=O)c1)C(N)=O)C1CC1 Show InChI InChI=1S/C20H21N5O2/c1-11(12-3-4-12)22-18-15-6-5-13(14-7-8-25(2)17(26)10-14)9-16(15)23-24-19(18)20(21)27/h5-12H,3-4H2,1-2H3,(H2,21,27)(H,22,23)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438358 (CHEMBL2408757) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc12 |r| Show InChI InChI=1S/C28H35F2N3O3/c1-17(34)33-23(11-19-8-20(29)12-21(30)9-19)25(35)15-32-24-14-28(4,5)36-26-7-6-18(10-22(24)26)13-27(2,3)16-31/h6-10,12,23-25,32,35H,11,13-15H2,1-5H3,(H,33,34)/t23-,24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436746 (CHEMBL2401971) Show SMILES CC[C@H]1N([C@H]2CCOC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C22H24N6O2/c1-3-17-21(29)26(2)18-13-24-22(25-20(18)28(17)16-9-12-30-14-16)27-11-10-23-19(27)15-7-5-4-6-8-15/h4-8,10-11,13,16-17H,3,9,12,14H2,1-2H3/t16-,17+/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438359 (CHEMBL2408760) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50436720 (CHEMBL2401963) Show SMILES CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk1 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428696 (CHEMBL2333120) Show SMILES CC(C)Nc1c(nnc2cc(ccc12)N1CCOCC1)C(N)=O Show InChI InChI=1S/C16H21N5O2/c1-10(2)18-14-12-4-3-11(21-5-7-23-8-6-21)9-13(12)19-20-15(14)16(17)22/h3-4,9-10H,5-8H2,1-2H3,(H2,17,22)(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428698 (CHEMBL2333118 | US9884828, 2-35) Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-5-4-10(11-7-18-22(3)8-11)6-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50338292 (CHEMBL1682014 | N-(4-chloro-3-(1H-1,2,4-triazol-5-...) Show SMILES Clc1csc(NC(=O)CN2C(=O)CCc3ccccc23)c1-c1nnc[nH]1 Show InChI InChI=1S/C17H14ClN5O2S/c18-11-8-26-17(15(11)16-19-9-20-22-16)21-13(24)7-23-12-4-2-1-3-10(12)5-6-14(23)25/h1-4,8-9H,5-7H2,(H,21,24)(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436734 (CHEMBL2402079) Show SMILES CCC1N(c2ccn[nH]2)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccc(F)cc1 Show InChI InChI=1S/C21H19FN8O/c1-3-15-20(31)28(2)16-12-24-21(26-19(16)30(15)17-8-9-25-27-17)29-11-10-23-18(29)13-4-6-14(22)7-5-13/h4-12,15H,3H2,1-2H3,(H,25,27)	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428700 (CHEMBL2333116 | US9884828, 2-53) Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cn[nH]c1)C(N)=O Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-4-3-9(10-6-17-18-7-10)5-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50338293 (CHEMBL1682015 | N-(4-cyano-3-(1H-1,2,4-triazol-5-y...) Show SMILES O=C(CN1C(=O)CCc2ccccc12)Nc1scc(C#N)c1-c1nnc[nH]1 Show InChI InChI=1S/C18H14N6O2S/c19-7-12-9-27-18(16(12)17-20-10-21-23-17)22-14(25)8-24-13-4-2-1-3-11(13)5-6-15(24)26/h1-4,9-10H,5-6,8H2,(H,22,25)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 1838-43 (2011) Article DOI: 10.1016/j.bmcl.2011.01.046 BindingDB Entry DOI: 10.7270/Q2Q52PX0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282674 (US9884828, 11-221) Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)-c1nccn1C Show InChI InChI=1S/C25H26N6O2/c1-14(15-4-5-15)28-22-19-9-6-16(12-20(19)29-30-23(22)24(26)32)18-8-7-17(13-21(18)33-3)25-27-10-11-31(25)2/h6-15H,4-5H2,1-3H3,(H2,26,32)(H,28,29)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428698 (CHEMBL2333118 | US9884828, 2-35) Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C16H18N6O/c1-9(2)19-14-12-5-4-10(11-7-18-22(3)8-11)6-13(12)20-21-15(14)16(17)23/h4-9H,1-3H3,(H2,17,23)(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282589 (US9884828, 2-49) Show SMILES CC(C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1)C(N)=O Show InChI InChI=1S/C22H25N5O2/c1-14(2)24-20-18-8-5-16(13-19(18)25-26-21(20)22(23)28)15-3-6-17(7-4-15)27-9-11-29-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H2,23,28)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK2 (Homo sapiens (Human))	BDBM50436749 (CHEMBL2401966) Show SMILES CC[C@H]1N(CCC(F)(F)F)c2nc(ncc2N(C)C1=O)-n1ccnc1-c1ccccc1 |r| Show InChI InChI=1S/C21H21F3N6O/c1-3-15-19(31)28(2)16-13-26-20(27-18(16)29(15)11-9-21(22,23)24)30-12-10-25-17(30)14-7-5-4-6-8-14/h4-8,10,12-13,15H,3,9,11H2,1-2H3/t15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of GST-tagged Plk2 (unknown origin) assessed as inhibition of DEKTDDED phosphorylation at Thr1342 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 23: 2743-9 (2013) Article DOI: 10.1016/j.bmcl.2013.02.065 BindingDB Entry DOI: 10.7270/Q28G8N4M
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428715 (CHEMBL2333129 | US9884828, 2-19) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50428715 (CHEMBL2333129 | US9884828, 2-19) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC3CCC3)c(nnc2c1)C(N)=O Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)15-8-5-12(6-9-15)13-7-10-16-17(11-13)23-24-19(20(21)25)18(16)22-14-3-2-4-14/h5-11,14H,2-4H2,1H3,(H2,21,25)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282623 (US9884828, 2-118) Show SMILES COc1cc(ccc1-c1ccc2c(N[C@H](C)C3CC3)c(nnc2c1)C(N)=O)C(=O)N(C)C Show InChI InChI=1S/C24H27N5O3/c1-13(14-5-6-14)26-21-18-10-7-15(11-19(18)27-28-22(21)23(25)30)17-9-8-16(12-20(17)32-4)24(31)29(2)3/h7-14H,5-6H2,1-4H3,(H2,25,30)(H,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM282621 (US9884828, 2-116) Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)N1CCOCC1=O)C(N)=O)C1CC1 Show InChI InChI=1S/C24H25N5O3/c1-14(15-2-3-15)26-22-19-9-6-17(12-20(19)27-28-23(22)24(25)31)16-4-7-18(8-5-16)29-10-11-32-13-21(29)30/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H2,25,31)(H,26,27)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair

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