BDBM50402832 CHEMBL2204110

SMILES: COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCC(O)CC2)c(=O)c2ccc(F)cc2n1-c1ccccc1

InChI Key: InChIKey=BBJVUPIDQPSQJP-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 = 50402832   

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))	BDBM50402832 (CHEMBL2204110) Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCC(O)CC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H27FN2O6S/c1-38-29(35)27-25(17-19-7-10-23(11-8-19)39(36,37)31-15-13-22(33)14-16-31)28(34)24-12-9-20(30)18-26(24)32(27)21-5-3-2-4-6-21/h2-12,18,22,33H,13-17H2,1H3	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	50	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))	BDBM50402832 (CHEMBL2204110) Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCC(O)CC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C29H27FN2O6S/c1-38-29(35)27-25(17-19-7-10-23(11-8-19)39(36,37)31-15-13-22(33)14-16-31)28(34)24-12-9-20(30)18-26(24)32(27)21-5-3-2-4-6-21/h2-12,18,22,33H,13-17H2,1H3	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	200	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