BDBM50089243 CHEMBL3577857

SMILES: O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1

InChI Key: InChIKey=LXNOQKIBARYULG-HDJSIYSDSA-N

Data: 2 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 2 hits for monomerid = 50089243   

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))	BDBM50089243 (CHEMBL3577857) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1 |r,wU:4.7,wD:1.0,(-4,-7.4,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.38,-.9,;6.41,-2.05,;5.64,-3.38,;4.14,-3.06,)| Show InChI InChI=1S/C17H23N5O/c23-14-6-4-13(5-7-14)19-17-18-11-12-3-8-15(20-16(12)21-17)22-9-1-2-10-22/h3,8,11,13-14,23H,1-2,4-7,9-10H2,(H,18,19,20,21)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay				ACS Med Chem Lett 6: 413-8 (2015) Article DOI: 10.1021/ml500474d BindingDB Entry DOI: 10.7270/Q2KH0Q2N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50089243 (CHEMBL3577857) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(nc2n1)N1CCCC1 |r,wU:4.7,wD:1.0,(-4,-7.4,;-4,-6.16,;-2.67,-5.39,;-2.67,-3.85,;-4.01,-3.08,;-5.34,-3.86,;-5.34,-5.4,;-4.01,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;4,-1.54,;5.38,-.9,;6.41,-2.05,;5.64,-3.38,;4.14,-3.06,)| Show InChI InChI=1S/C17H23N5O/c23-14-6-4-13(5-7-14)19-17-18-11-12-3-8-15(20-16(12)21-17)22-9-1-2-10-22/h3,8,11,13-14,23H,1-2,4-7,9-10H2,(H,18,19,20,21)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK3alpha-1 (unknown origin) using biotinylated FL-ATF-2 as substrate after 1 hr by homogeneous time-resolved fluorescence assay				ACS Med Chem Lett 6: 413-8 (2015) Article DOI: 10.1021/ml500474d BindingDB Entry DOI: 10.7270/Q2KH0Q2N
					More data for this Ligand-Target Pair