Compile Data Set for Download or QSAR

Found 12 hits of ec50 data for polymerid = 126   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35327 (pyridylpurine aminoisoquinoline, 1) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.60	n/a	1.80	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM14971 (4-Methyl-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)-N...) Show SMILES Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-16(23(33)31-18-5-2-4-17(13-18)24(25,26)27)12-21(15)32-22-19(6-3-10-29-22)20-9-11-28-14-30-20/h2-14H,1H3,(H,29,32)(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.460	n/a	15	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35325 (aminoquinazoline, 19) Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12 Show InChI InChI=1S/C27H29N7/c1-16-7-9-20-19(24(16)17-8-10-21-18(13-17)15-30-26(28-5)31-21)11-12-29-25(20)32-23-14-22(27(2,3)4)33-34(23)6/h7-15H,1-6H3,(H,29,32)(H,28,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	22	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35322 (aminoisoquinoline, 15) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12 Show InChI InChI=1S/C28H23N7/c1-4-19-7-5-8-20(15-19)34-27-22-11-10-18(2)26(21(22)12-14-31-27)35-28-23(9-6-13-30-28)24-16-25(29-3)33-17-32-24/h1,5-17H,2-3H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	26	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35317 (4-Methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(...) Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H19F3N4O/c1-14-6-7-16(22(32)30-19-5-3-4-18(12-19)24(25,26)27)11-20(14)15-8-9-21-17(10-15)13-29-23(28-2)31-21/h3-13H,1-2H3,(H,30,32)(H,28,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	27	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35326 (aminoquinazoline, 20) Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12 Show InChI InChI=1S/C29H26N6O/c1-16-5-8-21-20(25(16)17-6-10-23-18(13-17)15-32-28(30-4)35-23)11-12-31-26(21)33-19-7-9-22-24(14-19)34-27(36)29(22,2)3/h5-15H,1-4H3,(H,31,33)(H,34,36)(H,30,32,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	27	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35323 (aminoisoquinoline, 16) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12 Show InChI InChI=1S/C28H24N8S/c1-16-6-8-20-19(10-12-31-27(20)35-18-7-9-24-23(13-18)34-17(2)37-24)26(16)36-28-21(5-4-11-30-28)22-14-25(29-3)33-15-32-22/h4-15H,1-3H3,(H,30,36)(H,31,35)(H,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	29	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35319 (aminoisoquinoline, 12b) Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C25H19ClN6/c1-16-4-9-20-19(10-14-29-24(20)31-18-7-5-17(26)6-8-18)23(16)32-25-21(3-2-12-28-25)22-11-13-27-15-30-22/h2-15H,1H3,(H,28,32)(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	34	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35320 (aminoisoquinoline, 13) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12 Show InChI InChI=1S/C26H22ClN7/c1-16-5-10-20-19(11-13-30-25(20)33-18-8-6-17(27)7-9-18)24(16)34-26-21(4-3-12-29-26)22-14-23(28-2)32-15-31-22/h3-15H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	35	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	44	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35318 (aminoisoquinoline, 12a) Show SMILES Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1 Show InChI InChI=1S/C26H19F3N6/c1-16-7-8-20-19(9-13-32-24(20)34-18-5-2-4-17(14-18)26(27,28)29)23(16)35-25-21(6-3-11-31-25)22-10-12-30-15-33-22/h2-15H,1H3,(H,31,35)(H,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	53	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM35324 (aminoquinazoline, 18) Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12 Show InChI InChI=1S/C25H20ClN5/c1-15-3-9-21-20(11-12-28-24(21)30-19-7-5-18(26)6-8-19)23(15)16-4-10-22-17(13-16)14-29-25(27-2)31-22/h3-14H,1-2H3,(H,28,30)(H,27,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	270	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
					More data for this Ligand-Target Pair