BDBM50402836 CHEMBL2204096

SMILES: COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1

InChI Key: InChIKey=GHLDPDGLXQCUNO-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 = 50402836   

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))	BDBM50402836 (CHEMBL2204096) Show SMILES COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H25FN2O5S/c1-32-24(29)22-20(15-26-12-10-18(11-13-26)33(2,30)31)23(28)19-9-8-16(25)14-21(19)27(22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3	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	23	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))	BDBM50402836 (CHEMBL2204096) Show SMILES COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H25FN2O5S/c1-32-24(29)22-20(15-26-12-10-18(11-13-26)33(2,30)31)23(28)19-9-8-16(25)14-21(19)27(22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3	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	140	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