Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 3205   

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 8 (Homo sapiens (Human))	BDBM29288 (triazole, 3f) Show SMILES COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-4-3-7(5-9(8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29300 (triazole, 3r) Show SMILES COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-7(3-5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29289 (triazole, 3g) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1 |(7.87,2.42,;7.37,3.87,;8.39,5.03,;5.86,4.18,;5.22,5.58,;3.69,5.4,;3.39,3.89,;2.23,2.88,;.77,3.38,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,;-.49,2.5,;-.52,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-3.19,-2.12,;-4.52,-1.35,;-4.52,.19,;-3.19,.96,;-1.86,.19,;4.73,3.13,)| Show InChI InChI=1S/C15H9N5O3S2/c21-13-17-18-14(25-15-16-8-12(24-15)20(22)23)19(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29296 (triazole, 3n) Show SMILES COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(3.48,.19,;2.15,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-5-3-2-4-7(8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29299 (triazole, 3q) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1 Show InChI InChI=1S/C11H13N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h6-7H,1-5H2,(H,13,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29304 (triazole, 7d) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1 Show InChI InChI=1S/C20H13N5O3S2/c26-25(27)17-11-21-20(29-17)30-19-23-22-18(24(19)12-14-7-4-10-28-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29286 (triazole, 3d) Show SMILES COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(.81,-4.43,;-.52,-3.66,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;.81,.19,;2.15,.96,;3.48,.19,;.81,-1.35,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-8(9(5-7)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29298 (triazole, 3p) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1 Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-1-3-7(4-2-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29302 (triazole, 7b) Show SMILES Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)| Show InChI InChI=1S/C16H10Cl2N6O2S2/c1-22-6-2-3-12(22)14-20-21-15(28-16-19-8-13(27-16)24(25)26)23(14)11-5-4-9(17)7-10(11)18/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29290 (triazole, 3h) Show SMILES COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(-3.19,-3.66,;-3.19,-2.12,;-1.86,-1.35,;-.52,-2.12,;.81,-1.35,;.81,.19,;2.15,.96,;3.48,.19,;-.52,.96,;-1.86,.19,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-9(23-2)8(5-7)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29292 (triazole, 3j) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C11H6N6O5S2/c18-9-13-14-10(24-11-12-5-8(23-11)17(21)22)15(9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,13,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29283 (triazole, 3a) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C15H15N5O3S2/c1-15(2,3)9-4-6-10(7-5-9)19-12(21)17-18-13(19)25-14-16-8-11(24-14)20(22)23/h4-8H,1-3H3,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29314 (dithioether 1,3,4-thiadiazole, 8g) Show SMILES OC(=O)c1cnc(Sc2nnc(Sc3ncc(s3)C(O)=O)s2)s1 Show InChI InChI=1S/C10H4N4O4S5/c15-5(16)3-1-11-7(19-3)21-9-13-14-10(23-9)22-8-12-2-4(20-8)6(17)18/h1-2H,(H,15,16)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29284 (triazole, 3b) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1 Show InChI InChI=1S/C12H7N5O5S2/c18-10-14-15-11(24-12-13-4-9(23-12)17(19)20)16(10)6-1-2-7-8(3-6)22-5-21-7/h1-4H,5H2,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29287 (triazole, 3e) Show SMILES COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-3-7(4-9(5-8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29305 (triazole, 7e) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1 Show InChI InChI=1S/C15H9N5O2S3/c21-20(22)12-9-16-15(24-12)25-14-18-17-13(11-7-4-8-23-11)19(14)10-5-2-1-3-6-10/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29301 (triazole, 7a) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3OCCOc3c2)s1 Show InChI InChI=1S/C19H13N5O4S2/c25-24(26)16-11-20-19(29-16)30-18-22-21-17(12-4-2-1-3-5-12)23(18)13-6-7-14-15(10-13)28-9-8-27-14/h1-7,10-11H,8-9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29295 (triazole, 3m) Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-3-7(5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29306 (triazole, 7f) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1 Show InChI InChI=1S/C16H10N6O2S2/c23-22(24)13-10-18-16(25-13)26-15-20-19-14(11-6-8-17-9-7-11)21(15)12-4-2-1-3-5-12/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29291 (triazole, 3i) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1 Show InChI InChI=1S/C12H6F3N5O4S2/c13-12(14,15)24-7-3-1-6(2-4-7)19-9(21)17-18-10(19)26-11-16-5-8(25-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29307 (triazole, 7g) Show SMILES Cn1c(Cc2nc([n-][o+]2)-c2cnccn2)nnc1Sc1ncc(s1)[N+]([O-])=O Show InChI InChI=1S/C13H9N9O3S2/c1-21-8(4-9-17-11(20-25-9)7-5-14-2-3-15-7)18-19-12(21)27-13-16-6-10(26-13)22(23)24/h2-3,5-6H,4H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29297 (triazole, 3o) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-2-1-3-7(4-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29303 (triazole, 7c) Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1 Show InChI InChI=1S/C18H13N5O3S2/c1-26-14-9-5-8-13(10-14)22-16(12-6-3-2-4-7-12)20-21-17(22)28-18-19-11-15(27-18)23(24)25/h2-11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29313 (dithioether 1,3,4-thiadiazole, 8f) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1 Show InChI InChI=1S/C8H2N6O4S5/c15-13(16)3-1-9-5(19-3)21-7-11-12-8(23-7)22-6-10-2-4(20-6)14(17)18/h1-2H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29285 (triazole, 3c) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1 Show InChI InChI=1S/C11H6FN5O3S2/c12-6-1-3-7(4-2-6)16-9(18)14-15-10(16)22-11-13-5-8(21-11)17(19)20/h1-5H,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29315 (2-amino-1,3,4-thiadiazole, 9) Show SMILES Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 Show InChI InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29292 (triazole, 3j) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C11H6N6O5S2/c18-9-13-14-10(24-11-12-5-8(23-11)17(21)22)15(9)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,13,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29294 (triazole, 3l) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(F)c2)s1 Show InChI InChI=1S/C11H6FN5O3S2/c12-6-2-1-3-7(4-6)16-9(18)14-15-10(16)22-11-13-5-8(21-11)17(19)20/h1-5H,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	626	n/a	n/a	n/a	n/a	7.8	0
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29315 (2-amino-1,3,4-thiadiazole, 9) Show SMILES Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1 Show InChI InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29313 (dithioether 1,3,4-thiadiazole, 8f) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1 Show InChI InChI=1S/C8H2N6O4S5/c15-13(16)3-1-9-5(19-3)21-7-11-12-8(23-7)22-6-10-2-4(20-6)14(17)18/h1-2H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29288 (triazole, 3f) Show SMILES COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-4-3-7(5-9(8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29317 (2-amino-1,3,4-thiadiazole, 11) Show SMILES Nc1nnc(SCc2ccc(F)cc2)s1 Show InChI InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compound was evaluated for its ability to disrupt the interaction of pepJIP1 with JNK1 by using DELFIA assay. DELFIA is a heterogeneous assay whereby...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29286 (triazole, 3d) Show SMILES COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(.81,-4.43,;-.52,-3.66,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;.81,.19,;2.15,.96,;3.48,.19,;.81,-1.35,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-8(9(5-7)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29285 (triazole, 3c) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1 Show InChI InChI=1S/C11H6FN5O3S2/c12-6-1-3-7(4-2-6)16-9(18)14-15-10(16)22-11-13-5-8(21-11)17(19)20/h1-5H,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29302 (triazole, 7b) Show SMILES Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)| Show InChI InChI=1S/C16H10Cl2N6O2S2/c1-22-6-2-3-12(22)14-20-21-15(28-16-19-8-13(27-16)24(25)26)23(14)11-5-4-9(17)7-10(11)18/h2-8H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29291 (triazole, 3i) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1 Show InChI InChI=1S/C12H6F3N5O4S2/c13-12(14,15)24-7-3-1-6(2-4-7)19-9(21)17-18-10(19)26-11-16-5-8(25-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29296 (triazole, 3n) Show SMILES COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(3.48,.19,;2.15,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-5-3-2-4-7(8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29290 (triazole, 3h) Show SMILES COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(-3.19,-3.66,;-3.19,-2.12,;-1.86,-1.35,;-.52,-2.12,;.81,-1.35,;.81,.19,;2.15,.96,;3.48,.19,;-.52,.96,;-1.86,.19,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)| Show InChI InChI=1S/C13H11N5O5S2/c1-22-7-3-4-9(23-2)8(5-7)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29289 (triazole, 3g) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1 |(7.87,2.42,;7.37,3.87,;8.39,5.03,;5.86,4.18,;5.22,5.58,;3.69,5.4,;3.39,3.89,;2.23,2.88,;.77,3.38,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,;-.49,2.5,;-.52,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-3.19,-2.12,;-4.52,-1.35,;-4.52,.19,;-3.19,.96,;-1.86,.19,;4.73,3.13,)| Show InChI InChI=1S/C15H9N5O3S2/c21-13-17-18-14(25-15-16-8-12(24-15)20(22)23)19(13)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29297 (triazole, 3o) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1 Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-2-1-3-7(4-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29298 (triazole, 3p) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1 Show InChI InChI=1S/C12H6F3N5O3S2/c13-12(14,15)6-1-3-7(4-2-6)19-9(21)17-18-10(19)25-11-16-5-8(24-11)20(22)23/h1-5H,(H,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29306 (triazole, 7f) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1 Show InChI InChI=1S/C16H10N6O2S2/c23-22(24)13-10-18-16(25-13)26-15-20-19-14(11-6-8-17-9-7-11)21(15)12-4-2-1-3-5-12/h1-10H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29284 (triazole, 3b) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1 Show InChI InChI=1S/C12H7N5O5S2/c18-10-14-15-11(24-12-13-4-9(23-12)17(19)20)16(10)6-1-2-7-8(3-6)22-5-21-7/h1-4H,5H2,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29287 (triazole, 3e) Show SMILES COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C13H11N5O5S2/c1-22-8-3-7(4-9(5-8)23-2)17-11(19)15-16-12(17)25-13-14-6-10(24-13)18(20)21/h3-6H,1-2H3,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29293 (triazole, 3k) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)c(F)c2)s1 Show InChI InChI=1S/C11H5F2N5O3S2/c12-6-2-1-5(3-7(6)13)17-9(19)15-16-10(17)23-11-14-4-8(22-11)18(20)21/h1-4H,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29303 (triazole, 7c) Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1 Show InChI InChI=1S/C18H13N5O3S2/c1-26-14-9-5-8-13(10-14)22-16(12-6-3-2-4-7-12)20-21-17(22)28-18-19-11-15(27-18)23(24)25/h2-11H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29304 (triazole, 7d) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1 Show InChI InChI=1S/C20H13N5O3S2/c26-25(27)17-11-21-20(29-17)30-19-23-22-18(24(19)12-14-7-4-10-28-14)16-9-3-6-13-5-1-2-8-15(13)16/h1-11H,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29295 (triazole, 3m) Show SMILES COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-3-7(5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29300 (triazole, 3r) Show SMILES COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O Show InChI InChI=1S/C12H9N5O4S2/c1-21-8-4-2-7(3-5-8)16-10(18)14-15-11(16)23-12-13-6-9(22-12)17(19)20/h2-6H,1H3,(H,14,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM29299 (triazole, 3q) Show SMILES [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1 Show InChI InChI=1S/C11H13N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h6-7H,1-5H2,(H,13,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					Assay Description Compounds were tested for their ability to inhibit JNK1 phosphorylation of ATF2 in the Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET)...				J Med Chem 52: 1943-52 (2009) Article DOI: 10.1021/jm801503n BindingDB Entry DOI: 10.7270/Q20Z71MD
					More data for this Ligand-Target Pair

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