BDBM50089233 CHEMBL3577868

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

InChI Key: InChIKey=FJVVBMGXZMJPOI-WKILWMFISA-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 = 50089233   

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))	BDBM50089233 (CHEMBL3577868) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-	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	21	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))	BDBM50089233 (CHEMBL3577868) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-	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	15	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))	BDBM50089233 (CHEMBL3577868) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-	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	66	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))	BDBM50089233 (CHEMBL3577868) Show SMILES CC(C)NC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r,wU:10.13,wD:7.6,(-6.67,-12.05,;-6.67,-10.81,;-7.74,-10.2,;-5.34,-10.04,;-5.34,-8.49,;-6.41,-7.88,;-4,-7.72,;-4.01,-6.17,;-2.67,-5.4,;-2.68,-3.86,;-4.02,-3.09,;-5.35,-3.86,;-5.35,-5.41,;-4.02,-1.54,;-2.69,-.77,;-2.69,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.67,.77,;2.67,-.77,;3.74,-1.39,;1.33,-1.54,;1.34,-3.08,;2.41,-3.7,;.27,-3.7,;,-.77,;-1.33,-1.54,)| Show InChI InChI=1S/C20H30N6O2/c1-12(2)22-20(28)24-16-8-6-15(7-9-16)23-19-21-11-14-5-10-17(27)26(13(3)4)18(14)25-19/h5,10-13,15-16H,6-9H2,1-4H3,(H,21,23,25)(H2,22,24,28)/t15-,16-	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