BDBM50506725 CHEMBL4593099

SMILES: O\N=C1\c2ccccc2-c2nc3ncccc3nc12

InChI Key: InChIKey=XURAVYGNAAUXQP-PDGQHHTCSA-N

Data: 2 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50506725   

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
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50506725 (CHEMBL4593099) Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12 Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-	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	390	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Binding affinity to human partial length JNK3 (V28 to Q422 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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9 (Homo sapiens (Human))	BDBM50506725 (CHEMBL4593099) Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12 Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of JNK in human THP1-Blue cells assessed as reduction in LPS-induced NFkappaB/AP1 activation preincubated for 30 mins followed by LPS-stim...				Eur J Med Chem 161: 179-191 (2019) Article DOI: 10.1016/j.ejmech.2018.10.023
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50506725 (CHEMBL4593099) Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12 Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-	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	360	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Binding affinity to human full-length JNK2 (M1 to Q382 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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50506725 (CHEMBL4593099) Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12 Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-	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	240	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
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10/8/9 (Homo sapiens (Human))	BDBM50506725 (CHEMBL4593099) Show SMILES O\N=C1\c2ccccc2-c2nc3ncccc3nc12 Show InChI InChI=1S/C14H8N4O/c19-18-12-9-5-2-1-4-8(9)11-13(12)16-10-6-3-7-15-14(10)17-11/h1-7,19H/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Montana State University Curated by ChEMBL					Assay Description Inhibition of JNK in human MONO-MAC-6 cells assessed as reduction in LPS-induced IL6 production preincubated for 30 mins followed by LPS-stimulation ...				Eur J Med Chem 161: 179-191 (2019) Article DOI: 10.1016/j.ejmech.2018.10.023
					More data for this Ligand-Target Pair