BDBM54691 2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)pyrrole-3-carbonitrile::2-amino-5-benzoyl-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-3-pyrrolecarbonitrile::2-amino-5-benzoyl-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpyrrole-3-carbonitrile::2-azanyl-5-(phenylcarbonyl)-4-(3,4,5-trimethoxyphenyl)-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-pyrrole-3-carbonitrile::UNM-0000305781::cid_25220932

SMILES: COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C

InChI Key: InChIKey=JMPFCENOODBBLG-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 = 54691   

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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	2.17E+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/Q2SB445M
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	6.05E+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/Q20V8B7J
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	7.04E+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/Q2RB7317
					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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	3.32E+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))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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
ras protein (Homo sapiens (Human))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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	6.65E+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-related protein Rab-2A. (Canis lupus familiaris)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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	7.53E+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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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/Q26H4FT9
					More data for this Ligand-Target Pair