BDBM50502995 CHEMBL4557420

SMILES: Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1

InChI Key: InChIKey=KKMLKWDEBLECJJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50502995   

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))	BDBM50502995 (CHEMBL4557420) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50502995 (CHEMBL4557420) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H18FN7O/c1-13-25-19(14-2-4-16(21)5-3-14)20(26-13)15-6-8-23-17(10-15)27-18(29)7-9-28-12-22-11-24-28/h2-6,8,10-12H,7,9H2,1H3,(H,25,26)(H,23,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177
					More data for this Ligand-Target Pair