Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50041710   

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
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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM50342771 (CHEMBL456646 | N-(2-(7-(methylsulfinyl)naphthalen-...) Show SMILES CC(=O)NCCc1cccc2ccc(cc12)S(C)=O Show InChI InChI=1S/C15H17NO2S/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(19(2)18)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	37.1	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))	BDBM50413647 (CHEMBL443429) Show SMILES CC(=O)NCCc1c[nH]c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C12H13N3O3/c1-8(16)13-5-4-9-7-14-12-3-2-10(15(17)18)6-11(9)12/h2-3,6-7,14H,4-5H2,1H3,(H,13,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41.7	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))	BDBM50408649 (CHEMBL37703) Show SMILES COc1ccc2cccc(CCNC(=O)C(C)C)c2c1 Show InChI InChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.6	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))	BDBM50413655 (CHEMBL457764) Show SMILES CC(C)(C)OC(=O)NCCc1cccc2ccc(O)cc12 Show InChI InChI=1S/C17H21NO3/c1-17(2,3)21-16(20)18-10-9-13-6-4-5-12-7-8-14(19)11-15(12)13/h4-8,11,19H,9-10H2,1-3H3,(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	51.3	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))	BDBM50413641 (CHEMBL467573) Show SMILES COC(=O)c1ccc2cccc(CNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C18H15NO4/c1-22-18(21)13-8-7-12-4-2-5-14(15(12)10-13)11-19-17(20)16-6-3-9-23-16/h2-10H,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52.5	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))	BDBM50413653 (CHEMBL457540) Show SMILES COc1ccc2cccc(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C18H17NO3/c1-21-15-8-7-13-4-2-5-14(16(13)12-15)9-10-19-18(20)17-6-3-11-22-17/h2-8,11-12H,9-10H2,1H3,(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	53.7	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))	BDBM50260409 (CHEMBL521827 | N-(2-(5-Methoxycarbonylamino-benzo[...) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C17H16N2O5/c1-22-17(21)19-12-4-5-14-13(9-12)11(10-24-14)6-7-18-16(20)15-3-2-8-23-15/h2-5,8-10H,6-7H2,1H3,(H,18,20)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.2	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))	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	57.5	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))	BDBM50413648 (CHEMBL511361) Show SMILES COc1ccc2cccc(CCNC(=O)CN3CCCC3=O)c2c1 Show InChI InChI=1S/C19H22N2O3/c1-24-16-8-7-14-4-2-5-15(17(14)12-16)9-10-20-18(22)13-21-11-3-6-19(21)23/h2,4-5,7-8,12H,3,6,9-11,13H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61.7	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))	BDBM50413651 (CHEMBL457533) Show SMILES COc1ccc2cccc(CC3=NC(=O)NC3=O)c2c1 |t:11| Show InChI InChI=1S/C15H12N2O3/c1-20-11-6-5-9-3-2-4-10(12(9)8-11)7-13-14(18)17-15(19)16-13/h2-6,8H,7H2,1H3,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61.7	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))	BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64.6	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))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	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	DrugBank MMDB PDB Article PubMed	n/a	n/a	64.6	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))	BDBM50413642 (CHEMBL451333) Show SMILES COC(=O)Nc1ccc2occ(CCNC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C19H18N2O4/c1-24-19(23)21-15-7-8-17-16(11-15)14(12-25-17)9-10-20-18(22)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67.6	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))	BDBM50260401 (3-(2-(furan-2-carboxamido)ethyl)benzofuran-5-carbo...) Show SMILES NC(=O)c1ccc2occ(CCNC(=O)c3ccco3)c2c1 Show InChI InChI=1S/C16H14N2O4/c17-15(19)10-3-4-13-12(8-10)11(9-22-13)5-6-18-16(20)14-2-1-7-21-14/h1-4,7-9H,5-6H2,(H2,17,19)(H,18,20)	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	67.6	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))	BDBM50037233 (CHEMBL111674 | Cyclobutanecarboxylic acid [2-(6-me...) Show SMILES COc1ccc2c(CCNC(=O)C3CCC3)cccc2c1 Show InChI InChI=1S/C18H21NO2/c1-21-16-8-9-17-13(4-2-7-15(17)12-16)10-11-19-18(20)14-5-3-6-14/h2,4,7-9,12,14H,3,5-6,10-11H2,1H3,(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	70.8	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