BDBM50402834 CHEMBL2204094

SMILES: COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=YMIHNRVATUXFGL-UHFFFAOYSA-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 = 50402834   

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))	BDBM50402834 (CHEMBL2204094) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H22F3N3O5/c1-38-26(37)22-20(15-16-7-9-17(10-8-16)25(36)31-13-14-34)23(35)19-11-12-21(27(28,29)30)32-24(19)33(22)18-5-3-2-4-6-18/h2-12,34H,13-15H2,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 22: 7381-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.066 BindingDB Entry DOI: 10.7270/Q27S7PZ6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50402834 (CHEMBL2204094) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H22F3N3O5/c1-38-26(37)22-20(15-16-7-9-17(10-8-16)25(36)31-13-14-34)23(35)19-11-12-21(27(28,29)30)32-24(19)33(22)18-5-3-2-4-6-18/h2-12,34H,13-15H2,1H3,(H,31,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 22: 7381-7 (2012) Article DOI: 10.1016/j.bmcl.2012.10.066 BindingDB Entry DOI: 10.7270/Q27S7PZ6
					More data for this Ligand-Target Pair