BDBM54698 3-phenyl-1-(3-pyridinyl)-2-propyn-1-one::3-phenyl-1-(3-pyridyl)prop-2-yn-1-one::3-phenyl-1-pyridin-3-yl-prop-2-yn-1-one::3-phenyl-1-pyridin-3-ylprop-2-yn-1-one::UNM-0000306056::cid_326117

SMILES: O=C(C#Cc1ccccc1)c1cccnc1

InChI Key: InChIKey=RWSCAPDAIPEMLF-UHFFFAOYSA-N

Data: 7 EC50

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 7 hits for monomerid = 54698   

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
ras protein (Homo sapiens (Human))	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23N21VG
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2V40SNS
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26H4FT9
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W37TR5
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X34VWJ
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D21W1M
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54698 (3-phenyl-1-(3-pyridinyl)-2-propyn-1-one | 3-phenyl...) Show SMILES O=C(C#Cc1ccccc1)c1cccnc1 Show InChI InChI=1S/C14H9NO/c16-14(13-7-4-10-15-11-13)9-8-12-5-2-1-3-6-12/h1-7,10-11H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Z31X2S
					More data for this Ligand-Target Pair