BDBM50156757 (S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrrolidin-3-ylamino)-1,3,5-triazin-2-ylamino)benzamide::CHEMBL221771

SMILES: CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1

InChI Key: InChIKey=TYCZJOPELGAGHD-HNNXBMFYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156757   

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))	BDBM50156757 ((S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrr...) Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1 |r| Show InChI InChI=1S/C21H32N8O/c1-13-6-7-14(17(22)30)10-16(13)25-19-26-18(24-15-8-9-23-11-15)27-20(28-19)29(5)12-21(2,3)4/h6-7,10,15,23H,8-9,11-12H2,1-5H3,(H2,22,30)(H2,24,25,26,27,28)/t15-/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	24	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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