BDBM54544 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenyl-1-piperazinyl)-1-propanone::3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one::3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazino)propan-1-one::KUC103350N::UNM-0000306064::cid_22107972

SMILES: COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1

InChI Key: InChIKey=GLUNYXUOJOKAOT-UHFFFAOYSA-N

Data: 2 KI  8 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 10 hits for monomerid = 54544   

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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	110	n/a	n/a	n/a	n/a	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/Q20000HB
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	160	n/a	n/a	n/a	n/a	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/Q2PC30TH
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	695	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/Q23B5XM4
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q2F18X40
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q25H7DQC
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q2NK3CFW
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q2C53J83
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q2JQ0ZF7
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.75E+3	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/Q2T43RHD
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54544 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1 Show InChI InChI=1S/C22H24N4O3/c1-28-19-9-7-17(8-10-19)22-23-20(29-24-22)11-12-21(27)26-15-13-25(14-16-26)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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/Q2PK0DK8
					More data for this Ligand-Target Pair