BDBM50503001 CHEMBL4586627

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

InChI Key: InChIKey=MAMLXBQONCXKSM-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 = 50503001   

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))	BDBM50503001 (CHEMBL4586627) Show SMILES COc1ccccc1-c1nc(C)[nH]c1-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C20H20N4O2/c1-12-22-18(19(23-12)15-5-3-4-6-16(15)26-2)14-9-10-21-17(11-14)24-20(25)13-7-8-13/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,23)(H,21,24,25)	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	504	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))	BDBM50503001 (CHEMBL4586627) Show SMILES COc1ccccc1-c1nc(C)[nH]c1-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C20H20N4O2/c1-12-22-18(19(23-12)15-5-3-4-6-16(15)26-2)14-9-10-21-17(11-14)24-20(25)13-7-8-13/h3-6,9-11,13H,7-8H2,1-2H3,(H,22,23)(H,21,24,25)	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	>1.00E+4	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