BDBM51791 5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-2-furancarboxamide::5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-[(5-{4-nitrophenyl}-2-furyl)methylene]-2-furohydrazide::5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]-2-furamide::5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide::MLS001240080::SMR000673320::cid_1000028

SMILES: Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1

InChI Key: InChIKey=XMDCFXNTELLNKR-FSJBWODESA-N

Data: 9 IC50

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 = 51791   

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
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29G5K79
					More data for this Ligand-Target Pair
MKP-3 (Rattus norvegicus)	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W66J6B
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human))	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8
					More data for this Ligand-Target Pair
neuronal munc18-1 binding protein (Rattus norvegicus)	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175
					More data for this Ligand-Target Pair
unnamed protein product (Aspergillus oryzae)	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22F7KVM
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2445JXV
					More data for this Ligand-Target Pair
likely tRNA 2'-phosphotransferase (Candida albicans SC5314)	BDBM51791 (5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...) Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2668BKB
					More data for this Ligand-Target Pair