BDBM54702 4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl ester::4-(3-phenylpropioloyl)benzoic acid methyl ester::UNM-0000306060::cid_15568606::methyl 4-(3-phenylprop-2-ynoyl)benzoate

SMILES: COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1

InChI Key: InChIKey=KNYSUCBEKWGGDW-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 = 54702   

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))	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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)	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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))	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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)	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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)	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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))	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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))	BDBM54702 (4-(1-oxo-3-phenylprop-2-ynyl)benzoic acid methyl e...) Show SMILES COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1 Show InChI InChI=1S/C17H12O3/c1-20-17(19)15-10-8-14(9-11-15)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11H,1H3	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