BDBM50359316 CHEMBL1929195

SMILES: CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1

InChI Key: InChIKey=MGCVZCZJPOZRQX-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50359316   

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
MAP kinase p38 (Homo sapiens (Human))	BDBM50359316 (CHEMBL1929195) Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of MAPK p38 (unknown origin)				Eur J Med Chem 143: 1616-1634 (2018) Article DOI: 10.1016/j.ejmech.2017.10.061 BindingDB Entry DOI: 10.7270/Q2VM4FSS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50359316 (CHEMBL1929195) Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Ansaris Curated by ChEMBL					Assay Description Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a...				Bioorg Med Chem Lett 21: 7155-65 (2011) Article DOI: 10.1016/j.bmcl.2011.09.078 BindingDB Entry DOI: 10.7270/Q2NC61NH
					More data for this Ligand-Target Pair				3D Structure (crystal)