BDBM50156755 (S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide::CHEMBL222267

SMILES: CCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1

InChI Key: InChIKey=CYTVPFXEQNGQQX-KRWDZBQOSA-N

Data: 1 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 1 hit for monomerid = 50156755   

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))	BDBM50156755 ((S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)...) Show SMILES CCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C23H36N8O/c1-7-25-19(32)16-9-8-15(2)18(12-16)27-21-28-20(26-17-10-11-24-13-17)29-22(30-21)31(6)14-23(3,4)5/h8-9,12,17,24H,7,10-11,13-14H2,1-6H3,(H,25,32)(H2,26,27,28,29,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human p38-alpha expressed in Escherichia coli				J Med Chem 47: 6283-91 (2004) Article DOI: 10.1021/jm049521d BindingDB Entry DOI: 10.7270/Q2WS8SR1
					More data for this Ligand-Target Pair