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null

SMILES: CS(=O)(=O)C1CCN(CC1)c1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1

InChI Key: InChIKey=VUQJMYORHRVTLM-IYARVYRRSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 102563
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
Roche Palo Alto LLC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	17.9	n/a	n/a	n/a	n/a	7.5	n/a
Roche Palo Alto LLC US Patent					Assay Description JNK activity was measured by phosphorylation of GST-ATF2 (19-96) with [gamma-33P] ATP.				US Patent US8536172 (2013) BindingDB Entry DOI: 10.7270/Q23N222K
Roche Palo Alto LLC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by micr...				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
Roche Palo Alto Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK1alpha1 using GST-tagged ATF2 as substrate preincubated for 10 mins prior to substrate addition measured after 30 mins by micr...				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
Roche Palo Alto Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Binding affinity to JNK1 (unknown origin)				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
Roche Palo Alto Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10/8/9 (Homo sapiens (Human))	BDBM102563 (US8536172, I-12) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of JNK-mediated c-Jun activation in TNFalpha-induced human SW1353 cells preincubated for 30 mins prior to TNFalpha treatment measured afte...				Bioorg Med Chem Lett 23: 3565-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.029 BindingDB Entry DOI: 10.7270/Q2MG7SF1
Roche Palo Alto Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)