Compile Data Set for Download or QSAR

Found 87 hits of ic50 for UniProtKB: P11766   

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
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465807 (CHEMBL4291042) Show SMILES CCc1cc(ccc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C18H16N6/c1-2-13-11-16(24-10-9-19-12-24)7-8-17(13)14-3-5-15(6-4-14)18-20-22-23-21-18/h3-12H,2H2,1H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465805 (CHEMBL4290485) Show SMILES Clc1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H11ClN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465829 (CHEMBL4289979) Show SMILES CCc1cc(ccc1-c1ccc(cc1F)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C18H15FN6/c1-2-12-9-14(25-8-7-20-11-25)4-6-15(12)16-5-3-13(10-17(16)19)18-21-23-24-22-18/h3-11H,2H2,1H3,(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123711 (US8741915, 2) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccccc1)c1ccccc1 |c:18| Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)/t20?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM140260 (US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,22,28H,2H2,1H3,(H2,25,26,29)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465828 (CHEMBL4294439) Show SMILES Cc1cc(ccc1-c1ccc(cc1Cl)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C17H13ClN6/c1-11-8-13(24-7-6-19-10-24)3-5-14(11)15-4-2-12(9-16(15)18)17-20-22-23-21-17/h2-10H,1H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47039 (US8906933, (R)-3-ethoxy-2-hydroxy-5-(6-(1-methyl-1...) Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-18,26H,3H2,1-2H3,(H,27,28)(H2,23,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123704 (US8741915, 146) Show SMILES CCOc1cc(cc(C(O)=O)c1O)[C@@H]1NC(=O)N=C(C1c1ccsc1)c1cnn(C)c1 |r,c:18| Show InChI InChI=1S/C21H20N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-17,26H,3H2,1-2H3,(H,23,29)(H,27,28)/t16?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465806 (CHEMBL4289333) Show SMILES Cc1cc(cnc1-c1ccc(cc1F)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C16H12FN7/c1-10-6-12(24-5-4-18-9-24)8-19-15(10)13-3-2-11(7-14(13)17)16-20-22-23-21-16/h2-9H,1H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465826 (CHEMBL4283184) Show SMILES Cc1cc(ccc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C17H14N6/c1-12-10-15(23-9-8-18-11-23)6-7-16(12)13-2-4-14(5-3-13)17-19-21-22-20-17/h2-11H,1H3,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123702 (US8741915, 143 | US8741915, 144) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1=NC(=O)NC(C1c1ccsc1)c1cccnc1 |t:14| Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,17-18,26H,2H2,1H3,(H,23,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47037 (US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccsc1)c1cccnc1 |c:19| Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465837 (CHEMBL4286132) Show SMILES Cc1cc(cnc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C16H13N7/c1-11-8-14(23-7-6-17-10-23)9-18-15(11)12-2-4-13(5-3-12)16-19-21-22-20-16/h2-10H,1H3,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM140262 (US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccsc1)c1ccccc1 |c:19| Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123712 (US8741915, 6) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccsc1)c1ccccc1 |c:18| Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,18,20,26H,2H2,1H3,(H,24,27)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM46437 (US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1ccccc1 |c:19| Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,20,26H,2H2,1H3,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123694 (US8741915, 5) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1ccccc1 |c:18| Show InChI InChI=1S/C22H19N3O5S/c1-2-30-17-11-15(10-16(21(17)26)25(28)29)20-18(14-8-9-31-12-14)19(23-22(27)24-20)13-6-4-3-5-7-13/h3-12,18,20,26H,2H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50354475 (CHEMBL1738699) Show SMILES Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O |(.17,2.54,;-.17,3.72,;.89,4.84,;.46,6.31,;-1.04,6.68,;-2.1,5.57,;-1.66,4.09,;-2.81,3.06,;-4.32,3.38,;-4.95,4.78,;-6.48,4.94,;-7.11,6.34,;-6.39,7.34,;-8.34,6.47,;-5.09,2.04,;-4.05,.9,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.9,;1.52,7.43,;2.72,7.14,;1.17,8.61,)| Show InChI InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465810 (CHEMBL4278220) Show SMILES Clc1cc(cnc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C15H10ClN7/c16-13-7-12(23-6-5-17-9-23)8-18-14(13)10-1-3-11(4-2-10)15-19-21-22-20-15/h1-9H,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465814 (CHEMBL4283157) Show SMILES Cc1cc(ccc1-c1ccc(cc1)C(O)=O)-n1ccnc1 Show InChI InChI=1S/C17H14N2O2/c1-12-10-15(19-9-8-18-11-19)6-7-16(12)13-2-4-14(5-3-13)17(20)21/h2-11H,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465813 (CHEMBL4287066) Show SMILES Fc1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C16H11FN6/c17-15-9-12(16-19-21-22-20-16)3-6-14(15)11-1-4-13(5-2-11)23-8-7-18-10-23/h1-10H,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465811 (CHEMBL4290516) Show SMILES c1cn(cn1)-c1ccc(cc1)-c1ccc(cc1)-c1nn[nH]n1 Show InChI InChI=1S/C16H12N6/c1-3-14(16-18-20-21-19-16)4-2-12(1)13-5-7-15(8-6-13)22-10-9-17-11-22/h1-11H,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465840 (CHEMBL4277254) Show SMILES Clc1cc(ccc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1 Show InChI InChI=1S/C16H11ClN6/c17-15-9-13(23-8-7-18-10-23)5-6-14(15)11-1-3-12(4-2-11)16-19-21-22-20-16/h1-10H,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123710 (US8741915, 169) Show SMILES Cn1cc(cn1)C1=NC(=O)N[C@H](C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 |r,t:7| Show InChI InChI=1S/C19H16N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-16,24H,1H3,(H,21,27)(H,25,26)/t15?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47045 (US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...) Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47036 (US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1cccnc1 |c:19| Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,19,26H,2H2,1H3,(H2,23,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465827 (CHEMBL4286551) Show SMILES CCc1cc(ccc1-c1ccc(cc1)-c1nnn[nH]1)-n1ccnc1C Show InChI InChI=1S/C19H18N6/c1-3-14-12-17(25-11-10-20-13(25)2)8-9-18(14)15-4-6-16(7-5-15)19-21-23-24-22-19/h4-12H,3H2,1-2H3,(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123696 (US8741915, 116) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1cccnc1 |c:18| Show InChI InChI=1S/C21H18N4O5S/c1-2-30-16-9-14(8-15(20(16)26)25(28)29)19-17(13-5-7-31-11-13)18(23-21(27)24-19)12-4-3-6-22-10-12/h3-11,17,19,26H,2H2,1H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465822 (CHEMBL4279145) Show SMILES Cc1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C17H14N6/c1-12-10-14(17-19-21-22-20-17)4-7-16(12)13-2-5-15(6-3-13)23-9-8-18-11-23/h2-11H,1H3,(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123701 (US8741915, 142) Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)N=C(C1c1ccsc1)c1cnn(C)c1 |c:18| Show InChI InChI=1S/C21H20N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-17,26H,3H2,1-2H3,(H,23,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465830 (CHEMBL4281451) Show SMILES Fc1cc(ccc1-c1ncc(cc1Cl)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C15H9ClFN7/c16-12-6-10(24-4-3-18-8-24)7-19-14(12)11-2-1-9(5-13(11)17)15-20-22-23-21-15/h1-8H,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47039 (US8906933, (R)-3-ethoxy-2-hydroxy-5-(6-(1-methyl-1...) Show SMILES CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1 Show InChI InChI=1S/C21H22N4O5S/c1-3-30-15-7-12(6-14(19(15)26)20(27)28)17-16(11-4-5-31-10-11)18(24-21(29)23-17)13-8-22-25(2)9-13/h4-10,16-18,26H,3H2,1-2H3,(H,27,28)(H2,23,24,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123714 (US8741915, 67) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)N=C(C1c1ccccc1)c1cccnc1 |c:18| Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,19,21,28H,2H2,1H3,(H,26,29)/t19?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM140264 (US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccccc1)c1cccnc1 |c:19| Show InChI InChI=1S/C23H20N4O5/c1-2-32-18-12-16(11-17(22(18)28)27(30)31)21-19(14-7-4-3-5-8-14)20(25-23(29)26-21)15-9-6-10-24-13-15/h3-13,21,28H,2H2,1H3,(H2,25,26,29)/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465820 (CHEMBL4285078) Show SMILES Cc1cc(ccc1-c1ccc(cc1)-n1ccnc1)C(O)=O Show InChI InChI=1S/C17H14N2O2/c1-12-10-14(17(20)21)4-7-16(12)13-2-5-15(6-3-13)19-9-8-18-11-19/h2-11H,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465819 (CHEMBL4282722) Show SMILES OC(=O)c1ccc(c(F)c1)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C16H11FN2O2/c17-15-9-12(16(20)21)3-6-14(15)11-1-4-13(5-2-11)19-8-7-18-10-19/h1-10H,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123693 (US8741915, 1) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccccc1)c1ccccc1 |c:18| Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,20,22,28H,2H2,1H3,(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM46287 (US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-5,...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1ccccc1 |c:19| Show InChI InChI=1S/C24H21N3O5/c1-2-32-19-14-17(13-18(23(19)28)27(30)31)22-20(15-9-5-3-6-10-15)21(25-24(29)26-22)16-11-7-4-8-12-16/h3-14,22,28H,2H2,1H3,(H2,25,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465821 (CHEMBL4292916) Show SMILES OC(=O)c1ccc(c(Cl)c1)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C16H11ClN2O2/c17-15-9-12(16(20)21)3-6-14(15)11-1-4-13(5-2-11)19-8-7-18-10-19/h1-10H,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465835 (CHEMBL4279294) Show SMILES c1cn(cn1)-c1ccc(nc1)-c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C15H11N7/c1-3-12(15-18-20-21-19-15)4-2-11(1)14-6-5-13(9-17-14)22-8-7-16-10-22/h1-10H,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47043 (US8906933, (S)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26| Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123706 (US8741915, 148) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1=NC(=O)NC(C1c1ccsc1)c1ccn(C)n1 |t:14| Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,16,18,26H,3H2,1-2H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465834 (CHEMBL4283715) Show SMILES Cc1cc(cnc1-c1ccc(cc1F)C(O)=O)-n1ccnc1 Show InChI InChI=1S/C16H12FN3O2/c1-10-6-12(20-5-4-18-9-20)8-19-15(10)13-3-2-11(16(21)22)7-14(13)17/h2-9H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465823 (CHEMBL4282612) Show SMILES Cc1nccn1-c1ccc(cc1)-c1ccc(cc1Cl)-c1nnn[nH]1 Show InChI InChI=1S/C17H13ClN6/c1-11-19-8-9-24(11)14-5-2-12(3-6-14)15-7-4-13(10-16(15)18)17-20-22-23-21-17/h2-10H,1H3,(H,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465841 (CHEMBL4281650) Show SMILES OC(=O)c1ccc(-c2ccc(cc2)-n2ccnc2)c(c1)C(F)(F)F Show InChI InChI=1S/C17H11F3N2O2/c18-17(19,20)15-9-12(16(23)24)3-6-14(15)11-1-4-13(5-2-11)22-8-7-21-10-22/h1-10H,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47045 (US8906933, (R)-2-hydroxy-4-(6-(1-methyl-1H-pyrazol...) Show SMILES Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C19H18N4O4S/c1-23-8-12(7-20-23)17-15(11-4-5-28-9-11)16(21-19(27)22-17)10-2-3-13(18(25)26)14(24)6-10/h2-9,15-17,24H,1H3,(H,25,26)(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM50465824 (CHEMBL4285208) Show SMILES FC(F)(F)c1cc(ccc1-c1ccc(cc1)-n1ccnc1)-c1nnn[nH]1 Show InChI InChI=1S/C17H11F3N6/c18-17(19,20)15-9-12(16-22-24-25-23-16)3-6-14(15)11-1-4-13(5-2-11)26-8-7-21-10-26/h1-10H,(H,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis				Bioorg Med Chem Lett 28: 3766-3773 (2018) Article DOI: 10.1016/j.bmcl.2018.10.012 BindingDB Entry DOI: 10.7270/Q21G0PZK
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123708 (US8741915, 159) Show SMILES Cn1ccc(n1)C1=NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1 |t:7| Show InChI InChI=1S/C19H16N4O4S/c1-23-6-4-13(22-23)17-15(11-5-7-28-9-11)16(20-19(27)21-17)10-2-3-12(18(25)26)14(24)8-10/h2-9,15-16,24H,1H3,(H,20,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM123697 (US8741915, 119) Show SMILES CCOc1cc(cc(c1O)N(=O)=O)C1NC(=O)N=C(C1c1ccsc1)c1ccn(C)n1 |c:18| Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,16-17,26H,3H2,1-2H3,(H,21,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	25
N30 Pharmaceuticals, Inc. US Patent					Assay Description GSNO and Enzyme/NADH Solutions are made up fresh each day. The Solutions are filtered and allowed to warm to room temperature. GSNO Solution: 100 mM ...				US Patent US8741915 (2014) BindingDB Entry DOI: 10.7270/Q2X34W5J
					More data for this Ligand-Target Pair
Alcohol dehydrogenase class-3 (Homo sapiens (Human))	BDBM47042 (US8906933, 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-...) Show SMILES CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26| Show InChI InChI=1S/C20H19N5O5S/c1-3-30-15-9-12(8-14(19(15)26)25(28)29)17-16(11-5-7-31-10-11)18(22-20(27)21-17)13-4-6-24(2)23-13/h4-10,17,26H,3H2,1-2H3,(H2,21,22,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	22
N30 Pharmaceuticals, Inc. US Patent					Assay Description Receptor binding assays were performed using crude membranes prepared from CHO cells expressing human NK3 receptor. Osanetant (SR142801), a non-pepti...				US Patent US8906933 (2014) BindingDB Entry DOI: 10.7270/Q2765D15
					More data for this Ligand-Target Pair

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