Compile Data Set for Download or QSAR

Found 15 hits of non-affinity data for polymerid = 1662   

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))	BDBM29279 (triazole, 4a) Show SMILES CCCCSc1n[nH]c(=O)n1-c1ccccc1 Show InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)	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	n/a	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))	BDBM29316 (2-amino-1,3,4-thiadiazole, 10) Show SMILES [O-][N+](=O)c1cnc(Sc2nnc(NC(=O)c3ccc(F)cc3)s2)s1 Show InChI InChI=1S/C12H6FN5O3S3/c13-7-3-1-6(2-4-7)9(19)15-10-16-17-12(23-10)24-11-14-5-8(22-11)18(20)21/h1-5H,(H,15,16,19)	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	n/a	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))	BDBM29281 (triazole, 4c) Show SMILES O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O3S/c21-16-18-19-17(24-11-12-4-2-1-3-5-12)20(16)13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,21)	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	n/a	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))	BDBM29282 (triazole, 4d) Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1 Show InChI InChI=1S/C12H8N4O3S2/c17-11-13-14-12(15(11)8-4-2-1-3-5-8)21-10-7-6-9(20-10)16(18)19/h1-7H,(H,13,17)	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	n/a	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))	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	n/a	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))	BDBM29279 (triazole, 4a) Show SMILES CCCCSc1n[nH]c(=O)n1-c1ccccc1 Show InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)	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	n/a	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))	BDBM29280 (triazole, 4b) Show SMILES CCSc1n[nH]c(=O)n1-c1ccccc1 Show InChI InChI=1S/C10H11N3OS/c1-2-15-10-12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)	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	n/a	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))	BDBM29281 (triazole, 4c) Show SMILES O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H15N3O3S/c21-16-18-19-17(24-11-12-4-2-1-3-5-12)20(16)13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,21)	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	n/a	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))	BDBM29282 (triazole, 4d) Show SMILES [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1 Show InChI InChI=1S/C12H8N4O3S2/c17-11-13-14-12(15(11)8-4-2-1-3-5-8)21-10-7-6-9(20-10)16(18)19/h1-7H,(H,13,17)	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	n/a	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))	BDBM29308 (dithioether 1,3,4-thiadiazole, 8a) Show SMILES C(Sc1nnc(SCc2ccccc2)s1)c1ccccc1 Show InChI InChI=1S/C16H14N2S3/c1-3-7-13(8-4-1)11-19-15-17-18-16(21-15)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM29309 (dithioether 1,3,4-thiadiazole, 8b) Show SMILES Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1 Show InChI InChI=1S/C16H12F2N2S3/c17-13-5-1-11(2-6-13)9-21-15-19-20-16(23-15)22-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM29310 (dithioether 1,3,4-thiadiazole, 8c) Show SMILES COc1ccc(CSc2nnc(SCc3ccc(OC)cc3)s2)cc1 Show InChI InChI=1S/C18H18N2O2S3/c1-21-15-7-3-13(4-8-15)11-23-17-19-20-18(25-17)24-12-14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM29311 (dithioether 1,3,4-thiadiazole, 8d) Show SMILES [O-][N+](=O)c1cccc(CSc2nnc(SCc3cccc(c3)[N+]([O-])=O)s2)c1 Show InChI InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-3-11(7-13)9-25-15-17-18-16(27-15)26-10-12-4-2-6-14(8-12)20(23)24/h1-8H,9-10H2	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	n/a	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))	BDBM29312 (dithioether 1,3,4-thiadiazole, 8e) Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(SCc3ccc(cc3)[N+]([O-])=O)s2)cc1 Show InChI InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-11(2-6-13)9-25-15-17-18-16(27-15)26-10-12-3-7-14(8-4-12)20(23)24/h1-8H,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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))	BDBM29280 (triazole, 4b) Show SMILES CCSc1n[nH]c(=O)n1-c1ccccc1 Show InChI InChI=1S/C10H11N3OS/c1-2-15-10-12-11-9(14)13(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,14)	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	n/a	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