BDBM50503004 CHEMBL4518273

SMILES: Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1

InChI Key: InChIKey=PNVSGLKCKYGCFI-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 = 50503004   

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))	BDBM50503004 (CHEMBL4518273) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18N4O3/c1-11-22-18(13-4-5-15-16(8-13)27-10-26-15)19(23-11)14-6-7-21-17(9-14)24-20(25)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(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	30	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))	BDBM50503004 (CHEMBL4518273) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)C2CC2)c1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H18N4O3/c1-11-22-18(13-4-5-15-16(8-13)27-10-26-15)19(23-11)14-6-7-21-17(9-14)24-20(25)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(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	467	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