BDBM54687 2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)-3-pyrrolecarbonitrile::2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile::2-azanyl-1-butylsulfonyl-5-(phenylcarbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile::UNM-0000305777::cid_25220928

SMILES: CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1

InChI Key: InChIKey=XGVSBURVFFZVGA-UHFFFAOYSA-N

Data: 1 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 9 hits for monomerid = 54687   

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))	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	2.88E+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/Q22R3Q30
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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/Q2V40SNS
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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	1.86E+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/Q26H4FT9
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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	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/Q2W37TR5
					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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/Q2X34VWJ
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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/Q2D21W1M
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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	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/Q24M92ZV
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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/Q23N21VG
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54687 (2-amino-5-benzoyl-1-butylsulfonyl-4-(3,4,5-trimeth...) Show SMILES CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C25H27N3O6S/c1-5-6-12-35(30,31)28-22(23(29)16-10-8-7-9-11-16)21(18(15-26)25(28)27)17-13-19(32-2)24(34-4)20(14-17)33-3/h7-11,13-14H,5-6,12,27H2,1-4H3	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	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/Q2Z31X2S
					More data for this Ligand-Target Pair