BDBM50392849 CHEMBL2151190::US9073941, 612

SMILES: Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1

InChI Key: InChIKey=FEQRWFABERLIOV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50392849   

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
Lipoamide Dehydrogenase (Lpd) (Mycobacterium tuberculosis)	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<40	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
Pyruvate dehydrogenase (PDH) (Mycobacterium tuberculosis)	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	439	n/a	n/a	n/a	n/a	7.0	n/a
Academia Sinica US Patent					Assay Description Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...				US Patent US9073941 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BGC
					More data for this Ligand-Target Pair
ERK-2 (Rattus norvegicus (rat))	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p38MAPKalpha using GST-ATF2 (1 to 115) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by ...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50392849 (CHEMBL2151190 | US9073941, 612) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1 Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 min...				ACS Med Chem Lett 3: 721-725 (2012) Article DOI: 10.1021/ml300129b BindingDB Entry DOI: 10.7270/Q2ZG6T9C
					More data for this Ligand-Target Pair