BDBM50241001 CHEMBL4082844

SMILES: OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1

InChI Key: InChIKey=STHABIWZJKRKDD-UHFFFAOYSA-N

Data: 2 IC50  2 Kd

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 4 hits for monomerid = 50241001   

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))	BDBM50241001 (CHEMBL4082844) Show SMILES OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O6S/c30-23-8-6-18(11-24(23)33-29(38)26-2-1-9-40-26)32-19-5-7-21-25(12-19)39-15-17-4-3-16(10-22(17)27(21)36)28(37)31-13-20(35)14-34/h1-12,20,32,34-35H,13-15H2,(H,31,37)(H,33,38)	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	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells SPR analysis				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))	BDBM50241001 (CHEMBL4082844) Show SMILES OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O6S/c30-23-8-6-18(11-24(23)33-29(38)26-2-1-9-40-26)32-19-5-7-21-25(12-19)39-15-17-4-3-16(10-22(17)27(21)36)28(37)31-13-20(35)14-34/h1-12,20,32,34-35H,13-15H2,(H,31,37)(H,33,38)	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	169	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))	BDBM50241001 (CHEMBL4082844) Show SMILES OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O6S/c30-23-8-6-18(11-24(23)33-29(38)26-2-1-9-40-26)32-19-5-7-21-25(12-19)39-15-17-4-3-16(10-22(17)27(21)36)28(37)31-13-20(35)14-34/h1-12,20,32,34-35H,13-15H2,(H,31,37)(H,33,38)	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	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universitaet Tuebingen Curated by ChEMBL					Assay Description Binding affinity to wild type human biotin labelled p38 alpha (9 to 352 residues) expressed in sf21 insect cells assessed as dissociation rate consta...				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))	BDBM50241001 (CHEMBL4082844) Show SMILES OCC(O)CNC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O6S/c30-23-8-6-18(11-24(23)33-29(38)26-2-1-9-40-26)32-19-5-7-21-25(12-19)39-15-17-4-3-16(10-22(17)27(21)36)28(37)31-13-20(35)14-34/h1-12,20,32,34-35H,13-15H2,(H,31,37)(H,33,38)	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	2	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