BDBM50502996 CHEMBL4451444

SMILES: OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1

InChI Key: InChIKey=KWAVLFMTWZNHCQ-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 = 50502996   

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))	BDBM50502996 (CHEMBL4451444) Show SMILES OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2/c20-14-5-3-11(4-6-14)17-18(23-16(10-25)22-17)13-7-8-21-15(9-13)24-19(26)12-1-2-12/h3-9,12,25H,1-2,10H2,(H,22,23)(H,21,24,26)	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	16	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))	BDBM50502996 (CHEMBL4451444) Show SMILES OCc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4O2/c20-14-5-3-11(4-6-14)17-18(23-16(10-25)22-17)13-7-8-21-15(9-13)24-19(26)12-1-2-12/h3-9,12,25H,1-2,10H2,(H,22,23)(H,21,24,26)	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	91	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