BDBM50089225 CHEMBL3577877

SMILES: CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1

InChI Key: InChIKey=QJPUIIKZKMYPSK-QAQDUYKDSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50089225   

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))	BDBM50089225 (CHEMBL3577877) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-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,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	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				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50089225 (CHEMBL3577877) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-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,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	11	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				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50089225 (CHEMBL3577877) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-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,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	12	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				3D Structure (crystal)
MAP kinase p38 (Homo sapiens (Human))	BDBM50089225 (CHEMBL3577877) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C3CCCC3)c2n1 |r,wU:10.13,wD:7.6,(-6.66,-12.02,;-6.66,-10.79,;-7.73,-10.18,;-5.33,-10.02,;-5.33,-8.48,;-6.4,-7.86,;-4,-7.7,;-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,;3.73,-1.38,;1.33,-1.54,;1.33,-3.08,;2.58,-3.96,;2.1,-5.43,;.56,-5.42,;.08,-3.96,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C22H32N6O2/c1-14(2)24-22(30)26-17-10-8-16(9-11-17)25-21-23-13-15-7-12-19(29)28(20(15)27-21)18-5-3-4-6-18/h7,12-14,16-18H,3-6,8-11H2,1-2H3,(H,23,25,27)(H2,24,26,30)/t16-,17-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 (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