BDBM54690 2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophenyl)sulfonyl-3-pyrrolecarbonitrile::2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophenyl)sulfonylpyrrole-3-carbonitrile::2-amino-5-benzoyl-4-(4-chlorophenyl)-1-nosyl-pyrrole-3-carbonitrile::2-azanyl-4-(4-chlorophenyl)-1-(4-nitrophenyl)sulfonyl-5-(phenylcarbonyl)pyrrole-3-carbonitrile::UNM-0000305780::cid_25220931

SMILES: Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=DMRRVOKZYZBWDZ-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 = 54690   

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)	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	540	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	930	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
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	1.52E+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/Q2TB15BF
					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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	7.21E+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/Q2Z31X2S
					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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)	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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)	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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	5.93E+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/Q24M92ZV
					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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))	BDBM54690 (2-amino-5-benzoyl-4-(4-chlorophenyl)-1-(4-nitrophe...) Show SMILES Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H15ClN4O5S/c25-17-8-6-15(7-9-17)21-20(14-26)24(27)28(22(21)23(30)16-4-2-1-3-5-16)35(33,34)19-12-10-18(11-13-19)29(31)32/h1-13H,27H2	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	5.98E+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/Q26H4FT9
					More data for this Ligand-Target Pair