BDBM50258906 3-({4-[(3,4-Dioxo-2-{[(1R)-1-phenylethyl]amino}-cyclobut-1-en-1-yl)amino]pyridin-2-yl}amino)benzamide::CHEMBL513870

SMILES: C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(c3)C(N)=O)c2)c(=O)c1=O)c1ccccc1

InChI Key: InChIKey=MIBQVKWORSUIKS-CQSZACIVSA-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 = 50258906   

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-activated protein kinase 2 (Homo sapiens (Human))	BDBM50258906 (3-({4-[(3,4-Dioxo-2-{[(1R)-1-phenylethyl]amino}-cy...) Show SMILES C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(c3)C(N)=O)c2)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C24H21N5O3/c1-14(15-6-3-2-4-7-15)27-20-21(23(31)22(20)30)29-18-10-11-26-19(13-18)28-17-9-5-8-16(12-17)24(25)32/h2-14,27H,1H3,(H2,25,32)(H2,26,28,29)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MK2				Bioorg Med Chem 17: 3342-51 (2009) Article DOI: 10.1016/j.bmc.2009.03.041 BindingDB Entry DOI: 10.7270/Q2WW7HK4
					More data for this Ligand-Target Pair