BDBM50156754 (S)-N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide::CHEMBL225418

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

InChI Key: InChIKey=YXDSUWPHIMTKHI-INIZCTEOSA-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 = 50156754   

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))	BDBM50156754 ((S)-N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amin...) Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1 |r| Show InChI InChI=1S/C22H34N8O2/c1-14-7-8-15(18(31)29-32-6)11-17(14)25-20-26-19(24-16-9-10-23-12-16)27-21(28-20)30(5)13-22(2,3)4/h7-8,11,16,23H,9-10,12-13H2,1-6H3,(H,29,31)(H2,24,25,26,27,28)/t16-/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	8	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
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