BDBM50241038 CHEMBL4071095

SMILES: OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1

InChI Key: InChIKey=DSKUUYAXWISCSZ-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 = 50241038   

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))	BDBM50241038 (CHEMBL4071095) Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O4S/c30-24-10-8-21(16-25(24)33-29(37)26-2-1-13-38-26)32-20-7-9-22-18(14-20)5-3-17-4-6-19(15-23(17)27(22)35)28(36)31-11-12-34/h1-2,4,6-10,13-16,32,34H,3,5,11-12H2,(H,31,36)(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50241038 (CHEMBL4071095) Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O4S/c30-24-10-8-21(16-25(24)33-29(37)26-2-1-13-38-26)32-20-7-9-22-18(14-20)5-3-17-4-6-19(15-23(17)27(22)35)28(36)31-11-12-34/h1-2,4,6-10,13-16,32,34H,3,5,11-12H2,(H,31,36)(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Inhibition of P38 alpha MAPK (unknown origin) by ELISA				J Med Chem 60: 8027-8054 (2017) Article DOI: 10.1021/acs.jmedchem.7b00745 BindingDB Entry DOI: 10.7270/Q2RV0QVZ
					More data for this Ligand-Target Pair