BDBM103826 SPI-01::US9791447, Compound SPI-01

SMILES: Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O

InChI Key: InChIKey=ANGMGEOZQHWOBK-NKPXSSHVSA-N

Data: 7 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 14 hits for monomerid = 103826   

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
Sentrin-specific protease 1 (SENP1) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	7.4	n/a
Beckman Research Institute of the City of Hope					Assay Description Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...				ACS Chem Biol 8: 1435-41 (2013) Article DOI: 10.1021/cb400177q BindingDB Entry DOI: 10.7270/Q2KH0KZN
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (SENP2) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	7.4	n/a
Beckman Research Institute of the City of Hope					Assay Description Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...				ACS Chem Biol 8: 1435-41 (2013) Article DOI: 10.1021/cb400177q BindingDB Entry DOI: 10.7270/Q2KH0KZN
					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (SENP1) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	7.4	n/a
Beckman Research Institute of the City of Hope					Assay Description Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...				ACS Chem Biol 8: 1435-41 (2013) Article DOI: 10.1021/cb400177q BindingDB Entry DOI: 10.7270/Q2KH0KZN
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (SENP2) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	n/a
Beckman Research Institute of the City of Hope					Assay Description Assays were performedby incubating SENPs with various concentrations of the inhibitor (0−60 μM) at RT for 10 min in assay buffer (50 mM Tr...				ACS Chem Biol 8: 1435-41 (2013) Article DOI: 10.1021/cb400177q BindingDB Entry DOI: 10.7270/Q2KH0KZN
					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (SENP1) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope US Patent					Assay Description The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...				US Patent US9791447 (2017) BindingDB Entry DOI: 10.7270/Q2J67K27
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (SENP2) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope US Patent					Assay Description The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...				US Patent US9791447 (2017) BindingDB Entry DOI: 10.7270/Q2J67K27
					More data for this Ligand-Target Pair
Sentrin-specific protease 7 (SENP7) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
SUMO1/SENP1 (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
SUMO1/SENP2 (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
SUMO2/SENP1 (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
SUMO2/SENP2 (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sentrin-specific protease 1 (SENP1) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sentrin-specific protease 2 (SENP2) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sentrin-specific protease 7 (SENP7) (Homo sapiens (Human))	BDBM103826 (SPI-01 | US11041859, Code SPI-01 | US9791447, Comp...) Show SMILES Nc1ccc2ccccc2c1\N=N\c1ccc(\C=C\c2ccc(cc2S(O)(=O)=O)\N=N\c2c(N)ccc3ccccc23)c(c1)S(O)(=O)=O Show InChI InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
City of Hope US Patent					Assay Description The binding of SPI-01 to the enzyme-substrate complex was investigated. CSP analysis was carried out on the 40 kDa complex of 15N-labeled full length...				US Patent US9791447 (2017) BindingDB Entry DOI: 10.7270/Q2J67K27
					More data for this Ligand-Target Pair