Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 8212   

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
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236879 (US9388171, I-8) Show SMILES Cn1nccc1Nc1cc2nc(ccc2cn1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-29-20(6-7-25-29)28-19-9-17-13(10-24-19)3-5-16(26-17)21(31)27-18(11-30)12-2-4-14(22)15(23)8-12/h2-10,18,30H,11H2,1H3,(H,24,28)(H,27,31)/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.748	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236882 (US9388171, I-24) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.15	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236881 (US9388171, I-21) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.86	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236878 (US9388171, I-6) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r| Show InChI InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236886 (US9388171, II-15) Show SMILES Cn1cc(cn1)[C@@H](NC(=O)c1ccc2cnc(Nc3ccnn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C25H21ClFN7O/c1-33-14-19(13-30-33)24(15-5-6-20(26)21(27)10-15)32-25(35)16-3-4-17-12-28-22(11-18(17)9-16)31-23-7-8-29-34(23)2/h3-14,24H,1-2H3,(H,28,31)(H,32,35)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236884 (US9388171, II-2) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H25ClFN3O2/c1-2-22(15-5-6-20(25)21(26)12-15)29-24(30)16-3-4-17-14-27-23(13-18(17)11-16)28-19-7-9-31-10-8-19/h3-6,11-14,19,22H,2,7-10H2,1H3,(H,27,28)(H,29,30)/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236890 (US9388171, II-64) Show SMILES COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1 |r| Show InChI InChI=1S/C27H30N6O2/c1-17-11-26(33(3)31-17)30-25-13-21-12-19(5-6-20(21)14-28-25)27(34)29-24-16-32(2)15-23(24)18-7-9-22(35-4)10-8-18/h5-14,23-24H,15-16H2,1-4H3,(H,28,30)(H,29,34)/t23-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.68	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236885 (US9388171, II-12) Show SMILES OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C23H23ClFN3O3/c24-19-4-3-14(10-20(19)25)21(13-29)28-23(30)15-1-2-16-12-26-22(11-17(16)9-15)27-18-5-7-31-8-6-18/h1-4,9-12,18,21,29H,5-8,13H2,(H,26,27)(H,28,30)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236880 (US9388171, I-11) Show SMILES Fc1cc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl Show InChI InChI=1S/C21H20ClFN4O2/c22-16-3-1-13(9-17(16)23)11-25-21(28)18-4-2-14-12-24-20(10-19(14)27-18)26-15-5-7-29-8-6-15/h1-4,9-10,12,15H,5-8,11H2,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.43	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236877 (US9388171, I-5) Show SMILES OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-16-3-1-13(9-17(16)24)20(12-29)28-22(30)18-4-2-14-11-25-21(10-19(14)27-18)26-15-5-7-31-8-6-15/h1-4,9-11,15,20,29H,5-8,12H2,(H,25,26)(H,28,30)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.04	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236888 (US9388171, II-37) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H26FN7O2/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17/h5-15,26H,1-4H3,(H,29,31)(H,32,36)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236890 (US9388171, II-64) Show SMILES COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1 |r| Show InChI InChI=1S/C27H30N6O2/c1-17-11-26(33(3)31-17)30-25-13-21-12-19(5-6-20(21)14-28-25)27(34)29-24-16-32(2)15-23(24)18-7-9-22(35-4)10-8-18/h5-14,23-24H,15-16H2,1-4H3,(H,28,30)(H,29,34)/t23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.47	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236883 (US9388171, I-30) Show SMILES Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl Show InChI InChI=1S/C22H22ClFN4O2/c23-17-3-1-14(11-18(17)24)5-8-25-22(29)19-4-2-15-13-26-21(12-20(15)28-19)27-16-6-9-30-10-7-16/h1-4,11-13,16H,5-10H2,(H,25,29)(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.95	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236878 (US9388171, I-6) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(OC)c(F)c1 |r| Show InChI InChI=1S/C24H27FN4O3/c1-3-19(15-5-7-22(31-2)18(25)12-15)29-24(30)20-6-4-16-14-26-23(13-21(16)28-20)27-17-8-10-32-11-9-17/h4-7,12-14,17,19H,3,8-11H2,1-2H3,(H,26,27)(H,29,30)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.96	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236889 (US9388171, II-46) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H23ClFN5O/c1-4-21(15-7-8-19(25)20(26)11-15)28-24(32)16-5-6-17-13-27-22(12-18(17)10-16)29-23-9-14(2)30-31(23)3/h5-13,21H,4H2,1-3H3,(H,27,29)(H,28,32)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236884 (US9388171, II-2) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H25ClFN3O2/c1-2-22(15-5-6-20(25)21(26)12-15)29-24(30)16-3-4-17-14-27-23(13-18(17)11-16)28-19-7-9-31-10-8-19/h3-6,11-14,19,22H,2,7-10H2,1H3,(H,27,28)(H,29,30)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236879 (US9388171, I-8) Show SMILES Cn1nccc1Nc1cc2nc(ccc2cn1)C(=O)N[C@H](CO)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C21H18ClFN6O2/c1-29-20(6-7-25-29)28-19-9-17-13(10-24-19)3-5-16(26-17)21(31)27-18(11-30)12-2-4-14(22)15(23)8-12/h2-10,18,30H,11H2,1H3,(H,24,28)(H,27,31)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.84	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236886 (US9388171, II-15) Show SMILES Cn1cc(cn1)[C@@H](NC(=O)c1ccc2cnc(Nc3ccnn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C25H21ClFN7O/c1-33-14-19(13-30-33)24(15-5-6-20(26)21(27)10-15)32-25(35)16-3-4-17-12-28-22(11-18(17)9-16)31-23-7-8-29-34(23)2/h3-14,24H,1-2H3,(H,28,31)(H,32,35)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.97	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236885 (US9388171, II-12) Show SMILES OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C23H23ClFN3O3/c24-19-4-3-14(10-20(19)25)21(13-29)28-23(30)15-1-2-16-12-26-22(11-17(16)9-15)27-18-5-7-31-8-6-18/h1-4,9-12,18,21,29H,5-8,13H2,(H,26,27)(H,28,30)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236889 (US9388171, II-46) Show SMILES CC[C@@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C24H23ClFN5O/c1-4-21(15-7-8-19(25)20(26)11-15)28-24(32)16-5-6-17-13-27-22(12-18(17)10-16)29-23-9-14(2)30-31(23)3/h5-13,21H,4H2,1-3H3,(H,27,29)(H,28,32)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.7	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236877 (US9388171, I-5) Show SMILES OC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-16-3-1-13(9-17(16)24)20(12-29)28-22(30)18-4-2-14-11-25-21(10-19(14)27-18)26-15-5-7-31-8-6-15/h1-4,9-11,15,20,29H,5-8,12H2,(H,25,26)(H,28,30)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236881 (US9388171, I-21) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C26H27FN6O3/c1-33-15-18(14-29-33)25(16-4-6-23(35-2)20(27)11-16)32-26(34)21-5-3-17-13-28-24(12-22(17)31-21)30-19-7-9-36-10-8-19/h3-6,11-15,19,25H,7-10H2,1-2H3,(H,28,30)(H,32,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 [8-360] (Homo sapiens (Human))	BDBM236887 (US9388171, II-23) Show SMILES C[C@@H](CO)Nc1cc2cc(ccc2cn1)C(=O)NCc1cc2c(F)cccc2[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.2	n/a	n/a	n/a	n/a	7.3	n/a
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236888 (US9388171, II-37) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(Nc3cc(C)nn3C)cc2c1)c1cnn(C)c1 |r| Show InChI InChI=1S/C27H26FN7O2/c1-16-9-25(35(3)33-16)31-24-12-20-10-18(5-6-19(20)13-29-24)27(36)32-26(21-14-30-34(2)15-21)17-7-8-23(37-4)22(28)11-17/h5-15,26H,1-4H3,(H,29,31)(H,32,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.4	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236882 (US9388171, I-24) Show SMILES COc1ccc(cc1F)[C@H](NC(=O)c1ccc2cnc(N[C@@H](C)CO)cc2n1)c1cnn(C)c1 |r| Show InChI InChI=1S/C24H25FN6O3/c1-14(13-32)28-22-9-20-16(10-26-22)4-6-19(29-20)24(33)30-23(17-11-27-31(2)12-17)15-5-7-21(34-3)18(25)8-15/h4-12,14,23,32H,13H2,1-3H3,(H,26,28)(H,30,33)/t14-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37.8	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236887 (US9388171, II-23) Show SMILES C[C@@H](CO)Nc1cc2cc(ccc2cn1)C(=O)NCc1cc2c(F)cccc2[nH]1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65.1	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236880 (US9388171, I-11) Show SMILES Fc1cc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl Show InChI InChI=1S/C21H20ClFN4O2/c22-16-3-1-13(9-17(16)23)11-25-21(28)18-4-2-14-12-24-20(10-19(14)27-18)26-15-5-7-29-8-6-15/h1-4,9-10,12,15H,5-8,11H2,(H,24,26)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	98.9	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM236883 (US9388171, I-30) Show SMILES Fc1cc(CCNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)ccc1Cl Show InChI InChI=1S/C22H22ClFN4O2/c23-17-3-1-14(11-18(17)24)5-8-25-22(29)19-4-2-15-13-26-21(12-20(15)28-19)27-16-6-9-30-10-7-16/h1-4,11-13,16H,5-10H2,(H,25,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	476	n/a	n/a	n/a	n/a	n/a	37
GENETECH, INC.; ARRAY BIOPHARMA INC. US Patent					Assay Description HepG2 cells were obtained from ATCC and grown in DMEM supplemented with 10% fetal bovine serum. Cells were plated in 96-well plates at 35,000 cells/w...				US Patent US9388171 (2016) BindingDB Entry DOI: 10.7270/Q2ZC81SV
					More data for this Ligand-Target Pair