BDBM54582 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-methoxyphenyl)-2-oxazolyl]-1-propanone::1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one::1-[4-(2,5-dimethylphenyl)piperazino]-3-[4-(4-methoxyphenyl)oxazol-2-yl]propan-1-one::KUC103411N::UNM-0000306128::cid_42628049

SMILES: COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1

InChI Key: InChIKey=UQQINCMHNCYWTB-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 = 54582   

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)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	210	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)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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/Q2PC30TH
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	480	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))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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	1.68E+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
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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	2.28E+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 protein (Homo sapiens (Human))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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	2.20E+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
ras protein (Homo sapiens (Human))	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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 C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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	2.84E+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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54582 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[4-(4-m...) Show SMILES COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3	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