Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 1374   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NADPH oxidase 4 (Homo sapiens (Human))	BDBM318940 (US10173988, Compound inventive) Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM318937 (US10173988, Compound B) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1 Show InChI InChI=1S/C22H26ClN7O/c1-15-6-7-16(12-19(15)23)25-22-27-20(26-21(24)28-22)14-29-8-10-30(11-9-29)17-4-3-5-18(13-17)31-2/h3-7,12-13H,8-11,14H2,1-2H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM318939 (US10173988, Compound D) Show SMILES Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C Show InChI InChI=1S/C22H26ClN7/c1-15-3-6-18(13-16(15)2)25-22-27-20(26-21(24)28-22)14-29-9-11-30(12-10-29)19-7-4-17(23)5-8-19/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM318938 (US10173988, Compound C) Show SMILES Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-5-4-6-20(13-16)30-11-9-29(10-12-30)15-21-26-22(24)28-23(27-21)25-19-8-7-17(2)18(3)14-19/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 4 (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318939 (US10173988, Compound D) Show SMILES Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C Show InChI InChI=1S/C22H26ClN7/c1-15-3-6-18(13-16(15)2)25-22-27-20(26-21(24)28-22)14-29-9-11-30(12-10-29)19-7-4-17(23)5-8-19/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318940 (US10173988, Compound inventive) Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318937 (US10173988, Compound B) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1 Show InChI InChI=1S/C22H26ClN7O/c1-15-6-7-16(12-19(15)23)25-22-27-20(26-21(24)28-22)14-29-8-10-30(11-9-29)17-4-3-5-18(13-17)31-2/h3-7,12-13H,8-11,14H2,1-2H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318937 (US10173988, Compound B) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1 Show InChI InChI=1S/C22H26ClN7O/c1-15-6-7-16(12-19(15)23)25-22-27-20(26-21(24)28-22)14-29-8-10-30(11-9-29)17-4-3-5-18(13-17)31-2/h3-7,12-13H,8-11,14H2,1-2H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
Cytochrome b-245 heavy chain (Homo sapiens (Human))	BDBM318938 (US10173988, Compound C) Show SMILES Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-5-4-6-20(13-16)30-11-9-29(10-12-30)15-21-26-22(24)28-23(27-21)25-19-8-7-17(2)18(3)14-19/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318940 (US10173988, Compound inventive) Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318936 (US10173988, Compound A) Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318938 (US10173988, Compound C) Show SMILES Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1 Show InChI InChI=1S/C23H29N7/c1-16-5-4-6-20(13-16)30-11-9-29(10-12-30)15-21-26-22(24)28-23(27-21)25-19-8-7-17(2)18(3)14-19/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair
NADPH oxidase 1 (Homo sapiens (Human))	BDBM318939 (US10173988, Compound D) Show SMILES Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C Show InChI InChI=1S/C22H26ClN7/c1-15-3-6-18(13-16(15)2)25-22-27-20(26-21(24)28-22)14-29-9-11-30(12-10-29)19-7-4-17(23)5-8-19/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GLUCOX BIOTECH AB US Patent					Assay Description CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...				US Patent US10173988 (2019) BindingDB Entry DOI: 10.7270/Q2WH2S3G
					More data for this Ligand-Target Pair