Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 8' and Ligand = 'BDBM16018'   

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))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of JNK1				J Med Chem 53: 3005-12 (2010) Article DOI: 10.1021/jm9003279 BindingDB Entry DOI: 10.7270/Q2KS6RP5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01947 BindingDB Entry DOI: 10.7270/Q2CV4NSB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute									ACS Chem Biol 8: 1747-54 (2013) Article DOI: 10.1021/cb3006165 BindingDB Entry DOI: 10.7270/Q25719PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd Curated by ChEMBL					Assay Description Inhibition of human JNK1 by radiometric assay				Bioorg Med Chem 16: 4715-32 (2008) Article DOI: 10.1016/j.bmc.2008.02.027 BindingDB Entry DOI: 10.7270/Q2JS9R8M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK1 using ATF2 substrate by TR-FRET assay				J Med Chem 54: 6206-14 (2011) Article DOI: 10.1021/jm200479c BindingDB Entry DOI: 10.7270/Q2668DMM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM16018 (14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...) Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23 Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method				Eur J Med Chem 161: 179-191 (2019) Article DOI: 10.1016/j.ejmech.2018.10.023 BindingDB Entry DOI: 10.7270/Q2TB1B58
					More data for this Ligand-Target Pair				3D Structure (crystal)