BDBM54580 3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-1-propanone::3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one::3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]-1-[4-(2,5-dimethylphenyl)piperazino]propan-1-one::KUC103409N::UNM-0000306126::cid_42628047

SMILES: CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1

InChI Key: InChIKey=HSLIIHXKMISCHJ-UHFFFAOYSA-N

Data: 4 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 12 hits for monomerid = 54580   

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))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	250	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/Q2HT2MQ5
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	260	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)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	260	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)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	370	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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.77E+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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.66E+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/Q23B5XM4
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.19E+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/Q2NK3CFW
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.10E+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 protein (Homo sapiens (Human))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	GoogleScholar AffyNet	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))	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	GoogleScholar AffyNet	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 protein Rab-2A. (Canis lupus familiaris)	BDBM54580 (3-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-y...) Show SMILES CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H31N5O2/c1-18-5-6-19(2)22(17-18)29-13-15-30(16-14-29)24(31)12-11-23-26-25(27-32-23)20-7-9-21(10-8-20)28(3)4/h5-10,17H,11-16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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