BDBM50089232 CHEMBL3577869

SMILES: CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O

InChI Key: InChIKey=FPOJVFPVFJTSDR-IYARVYRRSA-N

Data: 3 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 3 hits for monomerid = 50089232   

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))	BDBM50089232 (CHEMBL3577869) Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)/t17-,18-	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	40	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))	BDBM50089232 (CHEMBL3577869) Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)/t17-,18-	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	81	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
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50089232 (CHEMBL3577869) Show SMILES CC(C)n1c2nc(N[C@H]3CC[C@@H](CC3)NC(=O)NC3CCCC3)ncc2ccc1=O |r,wU:8.7,wD:11.14,(2.4,-3.69,;1.33,-3.08,;.27,-3.7,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-4.01,-1.54,;-4.01,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.34,-5.4,;-5.34,-3.86,;-4,-7.7,;-5.33,-8.48,;-6.4,-7.86,;-5.33,-10.02,;-6.66,-10.79,;-6.8,-12.31,;-8.31,-12.63,;-9.08,-11.3,;-8.05,-10.15,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;3.73,-1.38,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)28-19(29)12-7-15-13-23-21(27-20(15)28)24-17-8-10-18(11-9-17)26-22(30)25-16-5-3-4-6-16/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,24,27)(H2,25,26,30)/t17-,18-	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of JNK2 (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