BDBM50420751 CHEMBL2087745

SMILES: Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1

InChI Key: InChIKey=MOYJHWSRAAKSSF-UHFFFAOYSA-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 = 50420751   

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 13 (MAPK13) (Homo sapiens (Human))	BDBM50420751 (CHEMBL2087745) Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1 |(-8.4,1.03,;-7.07,1.8,;-7.06,3.35,;-8.4,4.12,;-5.73,4.12,;-4.4,3.35,;-4.39,1.8,;-5.73,1.03,;-5.73,-.51,;-4.4,-1.27,;-3.07,-.5,;-4.41,-2.82,;-5.75,-3.59,;-6.08,-5.09,;-7.61,-5.24,;-8.22,-3.83,;-7.08,-2.81,;-7.08,-1.27,;-8.41,-.5,;-5.27,-6.39,;-3.74,-6.33,;-2.93,-7.63,;-3.65,-8.99,;-5.19,-9.04,;-6,-7.74,;-7.54,-7.78,;-3.07,4.13,;-3.07,5.67,;-1.73,3.37,;-.4,4.14,;1.14,4.14,;.37,5.47,)| Show InChI InChI=1S/C22H15ClF3N5O/c1-10-14(6-11(7-16(10)24)22(32)28-12-2-3-12)18-17(25)9-31-20(29-30-21(31)19(18)26)13-4-5-27-8-15(13)23/h4-9,12H,2-3H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair