BDBM50503018 CHEMBL4456961

SMILES: COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O

InChI Key: InChIKey=MIWKNDSMBBQRHQ-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 = 50503018   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503018 (CHEMBL4456961) Show SMILES COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O Show InChI InChI=1S/C20H19N5O3/c1-28-14-5-3-2-4-13(14)17-16(24-19(25-17)18(21)26)12-8-9-22-15(10-12)23-20(27)11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H2,21,26)(H,24,25)(H,22,23,27)	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	265	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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50503018 (CHEMBL4456961) Show SMILES COc1ccccc1-c1nc([nH]c1-c1ccnc(NC(=O)C2CC2)c1)C(N)=O Show InChI InChI=1S/C20H19N5O3/c1-28-14-5-3-2-4-13(14)17-16(24-19(25-17)18(21)26)12-8-9-22-15(10-12)23-20(27)11-6-7-11/h2-5,8-11H,6-7H2,1H3,(H2,21,26)(H,24,25)(H,22,23,27)	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	2.35E+3	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