Compile Data Set for Download or QSAR

Found 367 hits of ic50 for UniProtKB: P16083   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112200 (CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...) Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0891	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112208 (CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...) Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.129	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112203 (CHEMBL52559 | N-(2-(2-iodo-5-methoxy-4-nitro-1H-in...) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C13H14IN3O4/c1-7(18)15-6-5-8-11-9(16-13(8)14)3-4-10(21-2)12(11)17(19)20/h3-4,16H,5-6H2,1-2H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413646 (CHEMBL511675) Show SMILES COC(=O)Nc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16IN3O3/c1-8(19)16-6-5-10-11-7-9(17-14(20)21-2)3-4-12(11)18-13(10)15/h3-4,7,18H,5-6H2,1-2H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112201 (CHEMBL53622 | N-(2-(5-methoxy-1-methyl-4-nitro-1H-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C14H17N3O4/c1-9(18)15-7-6-10-8-16(2)11-4-5-12(21-3)14(13(10)11)17(19)20/h4-5,8H,6-7H2,1-3H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.309	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342769 (CHEMBL1770214 | N-[2-(7-methoxycarbonylamino-napht...) Show SMILES COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C16H18N2O3/c1-11(19)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)18-16(20)21-2/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112206 (CHEMBL300195 | N-(2-(5-methoxy-4-nitro-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1[N+]([O-])=O Show InChI InChI=1S/C13H15N3O4/c1-8(17)14-6-5-9-7-15-10-3-4-11(20-2)13(12(9)10)16(18)19/h3-4,7,15H,5-6H2,1-2H3,(H,14,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50260394 (5-MCA-NAT | 5-methoxycarbonylamino-N-acetyltryptam...) Show SMILES COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to low affinity melatonin (MT3) site of quinone reductase 2				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50066960 (CHEMBL33700 | N-(2-(5-methoxy-1-methyl-1H-indol-3-...) Show SMILES COc1ccc2n(C)cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-7-6-11-9-16(2)14-5-4-12(18-3)8-13(11)14/h4-5,8-9H,6-7H2,1-3H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.82	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413645 (CHEMBL457126) Show SMILES CCOC(=O)c1[nH]c2ccc(OC)cc2c1CCNC(C)=O Show InChI InChI=1S/C16H20N2O4/c1-4-22-16(20)15-12(7-8-17-10(2)19)13-9-11(21-3)5-6-14(13)18-15/h5-6,9,18H,4,7-8H2,1-3H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50363378 (CHEMBL1945729) Show SMILES CNc1c(Cl)c(N)c2N(C)C(=O)c3cc(nc1c23)C(N)=O Show InChI InChI=1S/C13H12ClN5O2/c1-17-10-7(14)8(15)11-6-4(13(21)19(11)2)3-5(12(16)20)18-9(6)10/h3,17H,15H2,1-2H3,(H2,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 using NMeH as substrate by MTT assay				J Med Chem 55: 367-77 (2012) Article DOI: 10.1021/jm201251c BindingDB Entry DOI: 10.7270/Q228083N
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342774 (CHEMBL1738752 | N-[2-(7-methylsulfamoyl-naphth-1-y...) Show SMILES CNS(=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317140 (5-(2-(diethylamino)ethylamino)-7-hydroxy-8,9-dimet...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)c(OC)c(OC)cc31 Show InChI InChI=1S/C22H26N4O4/c1-5-25(6-2)10-9-23-13-7-8-14-19-17(13)20(27)18-15(26(19)12-24-14)11-16(29-3)22(30-4)21(18)28/h7-8,11-12,23,28H,5-6,9-10H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413650 (CHEMBL465378) Show SMILES Oc1ccc2cccc(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C16H17NO2/c1-2-4-16(19)17-10-9-13-6-3-5-12-7-8-14(18)11-15(12)13/h2-3,5-8,11,18H,1,4,9-10H2,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.76	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human low affinity melatonin (MT3) site of quinone reductase 2				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008356 (5-(2-(diethylamino)ethylamino)-8-methoxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(OC)ccc31 Show InChI InChI=1S/C22H26N4O2/c1-5-25(6-2)12-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-4)7-10-19(16)26(21)14(3)24-18/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342775 (CHEMBL457992 | N-(2-(7-(N-methylsulfamoyl)naphthal...) Show SMILES CNS(=O)(=O)c1ccc2cccc(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C18H18N2O4S/c1-19-25(22,23)15-8-7-13-4-2-5-14(16(13)12-15)9-10-20-18(21)17-6-3-11-24-17/h2-8,11-12,19H,9-10H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342775 (CHEMBL457992 | N-(2-(7-(N-methylsulfamoyl)naphthal...) Show SMILES CNS(=O)(=O)c1ccc2cccc(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C18H18N2O4S/c1-19-25(22,23)15-8-7-13-4-2-5-14(16(13)12-15)9-10-20-18(21)17-6-3-11-24-17/h2-8,11-12,19H,9-10H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.12	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50515994 (CHEMBL4514167) Show SMILES COc1ccc2nc(C)cc(N\N=C\c3cccnc3)c2c1 Show InChI InChI=1S/C17H16N4O/c1-12-8-17(21-19-11-13-4-3-7-18-10-13)15-9-14(22-2)5-6-16(15)20-12/h3-11H,1-2H3,(H,20,21)/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111649 BindingDB Entry DOI: 10.7270/Q2FT8QCK
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50260410 (CHEMBL493424 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C16H18N2O4/c1-3-4-15(19)17-8-7-11-10-22-14-6-5-12(9-13(11)14)18-16(20)21-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413654 (CHEMBL457541) Show SMILES Oc1ccc2cccc(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H15NO3/c19-14-7-6-12-3-1-4-13(15(12)11-14)8-9-18-17(20)16-5-2-10-21-16/h1-7,10-11,19H,8-9H2,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.0	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413640 (CHEMBL455339) Show SMILES CNC(=O)c1ccc2cccc(CNC(C)=O)c2c1 Show InChI InChI=1S/C15H16N2O2/c1-10(18)17-9-13-5-3-4-11-6-7-12(8-14(11)13)15(19)16-2/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.0	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50515978 (CHEMBL1967497) Show SMILES COc1ccc2nc(C)cc(N\N=C\c3cccc(OC)c3O)c2c1 Show InChI InChI=1S/C19H19N3O3/c1-12-9-17(15-10-14(24-2)7-8-16(15)21-12)22-20-11-13-5-4-6-18(25-3)19(13)23/h4-11,23H,1-3H3,(H,21,22)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111649 BindingDB Entry DOI: 10.7270/Q2FT8QCK
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50354527 (CHEMBL1836819) Show SMILES COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c13 Show InChI InChI=1S/C19H20N4O3/c1-23(2,25)9-8-20-14-5-6-15-18-17(14)19(24)13-10-12(26-3)4-7-16(13)22(18)11-21-15/h4-7,10-11,20H,8-9H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				J Med Chem 54: 6597-611 (2011) Article DOI: 10.1021/jm200416e BindingDB Entry DOI: 10.7270/Q21Z44TH
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413643 (CHEMBL495399) Show SMILES COC(=O)c1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H15NO4/c1-9(16)15-6-5-11-8-19-13-4-3-10(7-12(11)13)14(17)18-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413652 (CHEMBL457539) Show SMILES COc1ccc2cccc(CCN3CCOC3=O)c2c1 Show InChI InChI=1S/C16H17NO3/c1-19-14-6-5-12-3-2-4-13(15(12)11-14)7-8-17-9-10-20-16(17)18/h2-6,11H,7-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50515995 (CHEMBL4435240) Show SMILES COc1ccc2nc(C)cc(N\N=C\Cc3ccccc3)c2c1 Show InChI InChI=1S/C19H19N3O/c1-14-12-19(17-13-16(23-2)8-9-18(17)21-14)22-20-11-10-15-6-4-3-5-7-15/h3-9,11-13H,10H2,1-2H3,(H,21,22)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111649 BindingDB Entry DOI: 10.7270/Q2FT8QCK
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150962 (CHEMBL3770366) Show SMILES CC(O)=O.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O3.C2H4O2/c18-17(19)13-3-1-11(2-4-13)15-9-10-16(23-15)12-5-7-14(8-6-12)20(21)22;1-2(3)4/h1-10H,(H3,18,19);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150963 (CHEMBL3770674) Show SMILES CC(O)=O.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O3.C2H4O2/c18-17(19)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)20(21)22;1-2(3)4/h1-10H,(H3,18,19);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413644 (CHEMBL446329) Show SMILES COC(=O)Nc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H16N2O4/c1-9(17)15-6-5-10-8-20-13-4-3-11(7-12(10)13)16-14(18)19-2/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50008344 (5-(2-(diethylamino)ethylamino)-8-hydroxy-1-methyl-...) Show SMILES CCN(CC)CCNc1ccc2nc(C)n3c2c1c(=O)c1cc(O)ccc31 Show InChI InChI=1S/C21H24N4O2/c1-4-24(5-2)11-10-22-16-7-8-17-20-19(16)21(27)15-12-14(26)6-9-18(15)25(20)13(3)23-17/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317138 (5-(2-(diethylamino)ethylamino)-7,10-dimethoxy-6H-i...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(OC)ccc(OC)c31 Show InChI InChI=1S/C22H26N4O3/c1-5-25(6-2)12-11-23-14-7-8-15-20-18(14)22(27)19-16(28-3)9-10-17(29-4)21(19)26(20)13-24-15/h7-10,13,23H,5-6,11-12H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50515985 (CHEMBL1237241 | TCMDC-142036) Show SMILES COc1ccc2nc(C)cc(N\N=C\c3ccc(o3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C16H14N4O4/c1-10-7-15(13-8-11(23-2)3-5-14(13)18-10)19-17-9-12-4-6-16(24-12)20(21)22/h3-9H,1-2H3,(H,18,19)/b17-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111649 BindingDB Entry DOI: 10.7270/Q2FT8QCK
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342770 (CHEMBL456727 | N-(2-(7-(methylthio)naphthalen-1-yl...) Show SMILES CSc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NOS/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50260398 (CHEMBL494566 | N-(2-(5-Methoxycarbonyl-benzo[b]fur...) Show SMILES COC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1 Show InChI InChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342770 (CHEMBL456727 | N-(2-(7-(methylthio)naphthalen-1-yl...) Show SMILES CSc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NOS/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.2	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342772 (CHEMBL458209 | N-(2-(7-(methylsulfonyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C15H17NO3S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(10-15(12)13)20(2,18)19/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342772 (CHEMBL458209 | N-(2-(7-(methylsulfonyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)(=O)=O Show InChI InChI=1S/C15H17NO3S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(10-15(12)13)20(2,18)19/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50260407 (CHEMBL521826 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)C(C)C)c2c1 Show InChI InChI=1S/C16H20N2O4/c1-10(2)15(19)17-7-6-11-9-22-14-5-4-12(8-13(11)14)18-16(20)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22.9	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413639 (CHEMBL456691) Show SMILES COC(=O)Nc1ccc2cccc(CNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C17H18N2O3/c1-22-17(21)19-14-8-7-11-3-2-4-13(15(11)9-14)10-18-16(20)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24.0	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150962 (CHEMBL3770366) Show SMILES CC(O)=O.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O3.C2H4O2/c18-17(19)13-3-1-11(2-4-13)15-9-10-16(23-15)12-5-7-14(8-6-12)20(21)22;1-2(3)4/h1-10H,(H3,18,19);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the prsence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50151002 (CHEMBL3770215) Show SMILES CC(O)=O.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(Br)cc1 Show InChI InChI=1S/C17H13BrN2O.C2H4O2/c18-14-7-5-12(6-8-14)16-10-9-15(21-16)11-1-3-13(4-2-11)17(19)20;1-2(3)4/h1-10H,(H3,19,20);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150963 (CHEMBL3770674) Show SMILES CC(O)=O.NC(=N)c1ccc(cc1)-c1ccc(o1)-c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O3.C2H4O2/c18-17(19)12-6-4-11(5-7-12)15-8-9-16(23-15)13-2-1-3-14(10-13)20(21)22;1-2(3)4/h1-10H,(H3,18,19);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the prsence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50413649 (CHEMBL443636) Show SMILES CS(=O)(=O)NCCc1cccc2ccccc12 Show InChI InChI=1S/C13H15NO2S/c1-17(15,16)14-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50037241 (CHEMBL34348 | N-(2-(7-methoxynaphthalen-1-yl)ethyl...) Show SMILES COc1ccc2cccc(CCNC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C20H19NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h2-11,14H,12-13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28.8	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50317139 (5-(2-(diethylamino)ethylamino)-7-hydroxy-10-methox...) Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1c(O)ccc(OC)c31 Show InChI InChI=1S/C21H24N4O3/c1-4-24(5-2)11-10-22-13-6-7-14-19-17(13)21(27)18-15(26)8-9-16(28-3)20(18)25(19)12-23-14/h6-9,12,22,26H,4-5,10-11H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
the University of Manchester and Manchester Cancer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry				Bioorg Med Chem Lett 20: 2832-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.051 BindingDB Entry DOI: 10.7270/Q2FB533K
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342773 (CHEMBL457763 | N-(2-(7-sulfamoylnaphthalen-1-yl)et...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C14H16N2O3S/c1-10(17)16-8-7-12-4-2-3-11-5-6-13(9-14(11)12)20(15,18)19/h2-6,9H,7-8H2,1H3,(H,16,17)(H2,15,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Binding affinity to human MT3 receptor				Eur J Med Chem 46: 1622-9 (2011) Article DOI: 10.1016/j.ejmech.2011.02.010 BindingDB Entry DOI: 10.7270/Q2PZ594W
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50342773 (CHEMBL457763 | N-(2-(7-sulfamoylnaphthalen-1-yl)et...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C14H16N2O3S/c1-10(17)16-8-7-12-4-2-3-11-5-6-13(9-14(11)12)20(15,18)19/h2-6,9H,7-8H2,1H3,(H,16,17)(H2,15,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32.4	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells				Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50388602 (FURAMIDINE) Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23| Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA				Eur J Med Chem 111: 33-45 (2016) Article DOI: 10.1016/j.ejmech.2016.01.022 BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50388602 (FURAMIDINE) Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N |w:1.0,20.23| Show InChI InChI=1S/C18H16N4O/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of recombinant human NQO2 assessed as change in rate of decolouration of DCPIP measured over 1 min by spectrophotometric method				Bioorg Med Chem Lett 28: 1292-1297 (2018) Article DOI: 10.1016/j.bmcl.2018.03.025 BindingDB Entry DOI: 10.7270/Q2154KP5
					More data for this Ligand-Target Pair

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