BDBM50425377 CHEMBL2316493

SMILES: OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1

InChI Key: InChIKey=AOJWJIKBZQTQGR-OAQYLSRUSA-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 = 50425377   

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 14 (Homo sapiens (Human))	BDBM50425377 (CHEMBL2316493) Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C29H25FN2O5S/c30-25-10-7-20(13-26(25)32-29(36)27-2-1-11-38-27)31-19-6-9-23-18(12-19)4-3-17-5-8-22(14-24(17)28(23)35)37-16-21(34)15-33/h1-2,5-14,21,31,33-34H,3-4,15-16H2,(H,32,36)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase (unknown origin) by ELISA				J Med Chem 56: 241-53 (2013) Article DOI: 10.1021/jm301539x BindingDB Entry DOI: 10.7270/Q2TB187B
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50425377 (CHEMBL2316493) Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C29H25FN2O5S/c30-25-10-7-20(13-26(25)32-29(36)27-2-1-11-38-27)31-19-6-9-23-18(12-19)4-3-17-5-8-22(14-24(17)28(23)35)37-16-21(34)15-33/h1-2,5-14,21,31,33-34H,3-4,15-16H2,(H,32,36)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase in whole blood (unknown origin) assessed as lipopolysaccharide-stimulated TNF-alpha release by ELISA				J Med Chem 56: 241-53 (2013) Article DOI: 10.1021/jm301539x BindingDB Entry DOI: 10.7270/Q2TB187B
					More data for this Ligand-Target Pair