BDBM54713 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-1-propanone::1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propan-1-one::1-[4-(2,5-dimethylphenyl)piperazino]-3-[5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propan-1-one::KUC103448N::UNM-0000306165::cid_44193699

SMILES: COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1

InChI Key: InChIKey=MIZBEBSCWUJGDU-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 = 54713   

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 protein Rab-2A. (Canis lupus familiaris)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	330	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/Q21V5CCX
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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/Q2PC30TH
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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	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/Q23B5XM4
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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	5.22E+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/Q25H7DQC
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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	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))	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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 protein (Homo sapiens (Human))	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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	5.31E+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)	BDBM54713 (1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-[5-(4-m...) Show SMILES COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1 Show InChI InChI=1S/C26H31N3O2/c1-19-4-5-20(2)25(18-19)28-14-16-29(17-15-28)26(30)13-9-22-8-12-24(27-22)21-6-10-23(31-3)11-7-21/h4-8,10-12,18,27H,9,13-17H2,1-3H3	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