null

SMILES: Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1

InChI Key: InChIKey=QSISRBIBWYHJGF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50237199   

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
m7GpppX diphosphatase (Homo sapiens (Human))	BDBM50237199 (CHEMBL4077061) Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)	PDB MMDB 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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50237199 (CHEMBL4077061) Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1 Show InChI InChI=1S/C16H12FN5O/c17-11-4-9(7-18)5-12(6-11)23-8-10-2-1-3-13-14(10)15(19)22-16(20)21-13/h1-6H,8H2,(H4,19,20,21,22)	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	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of DHFR (unknown origin)				J Med Chem 60: 3094-3108 (2017) Article DOI: 10.1021/acs.jmedchem.7b00124 BindingDB Entry DOI: 10.7270/Q2251MG2
					More data for this Ligand-Target Pair