BDBM50363458 CHEMBL1946336

SMILES: COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1

InChI Key: InChIKey=QVEWXFMWNGGSAH-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50363458   

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 8 (Homo sapiens (Human))	BDBM50363458 (CHEMBL1946336) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1 Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK1 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50363458 (CHEMBL1946336) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1 Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of p38alpha using MBP and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50363458 (CHEMBL1946336) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1 Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK3 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50363458 (CHEMBL1946336) Show SMILES COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n(C(C)C)c3n2)cc1 Show InChI InChI=1S/C21H21FN6O/c1-13(2)28-19-18(26-21(28)25-17-7-5-4-6-16(17)22)12-23-20(27-19)24-14-8-10-15(29-3)11-9-14/h4-13H,1-3H3,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length Hexa-His-tagged JNK2 using GST-tagged cJun and [gamma33P]ATP as substrate after 60 mins by scintillation counting				Bioorg Med Chem Lett 22: 1427-32 (2012) Article DOI: 10.1016/j.bmcl.2011.12.028 BindingDB Entry DOI: 10.7270/Q2513ZP6
					More data for this Ligand-Target Pair