null

SMILES: Cn1c(c(C(=O)CC#N)c2ccccc12)-c1ccccc1

InChI Key: InChIKey=PDGSUVUSLPTBIF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80793   

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
Hexokinase-1 (Homo sapiens (Human))	BDBM80793 (3-(1-methyl-2-phenyl-3-indolyl)-3-oxopropanenitril...) Show SMILES Cn1c(c(C(=O)CC#N)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C18H14N2O/c1-20-15-10-6-5-9-14(15)17(16(21)11-12-19)18(20)13-7-3-2-4-8-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
Hexokinase HKDC1 [W721R] (Homo sapiens (Human))	BDBM80793 (3-(1-methyl-2-phenyl-3-indolyl)-3-oxopropanenitril...) Show SMILES Cn1c(c(C(=O)CC#N)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C18H14N2O/c1-20-15-10-6-5-9-14(15)17(16(21)11-12-19)18(20)13-7-3-2-4-8-13/h2-10H,11H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair