BDBM54558 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone::1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone::1-[4-(2,5-dimethylphenyl)piperazino]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone::KUC103369N::UNM-0000306079::cid_20900764

SMILES: COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1

InChI Key: InChIKey=JQRMMKNMMJPPLW-UHFFFAOYSA-N

Data: 3 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 11 hits for monomerid = 54558   

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-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	700	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/Q2JS9NV0
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	1.32E+3	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))	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	1.77E+3	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)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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	7.52E+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/Q2PK0DK8
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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))	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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))	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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))	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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)	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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	1.45E+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/Q2T43RHD
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54558 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-4-5-17(2)20(14-16)26-10-12-27(13-11-26)22(28)15-21-24-23(25-30-21)18-6-8-19(29-3)9-7-18/h4-9,14H,10-13,15H2,1-3H3	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	1.15E+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/Q23B5XM4
					More data for this Ligand-Target Pair