Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50037877   

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
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206427 (7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...) Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210465 (CHEMBL227725 | NSC-34238 | allantodapsone) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCN2C(=O)NC(=O)C(=O)C2=O)cc1 Show InChI InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50210465 (CHEMBL227725 | NSC-34238 | allantodapsone) Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCN2C(=O)NC(=O)C(=O)C2=O)cc1 Show InChI InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50210461 ((stilbamidine)4-[2-[4-amino(imino)methylphenyl]-(E...) Show SMILES NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206427 (7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...) Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210463 (2-(3,5-dichloro-2-hydroxy-benzyl)-isothiourea | CH...) Show SMILES NC(=N)SCc1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C8H8Cl2N2OS/c9-5-1-4(3-14-8(11)12)7(13)6(10)2-5/h1-2,13H,3H2,(H3,11,12)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210466 (CHEMBL390383 | N-(3-(1H-imidazol-4-yl)propyl)-9H-p...) Show SMILES C(CNc1ncnc2nc[nH]c12)Cc1cnc[nH]1 Show InChI InChI=1S/C11H13N7/c1(2-8-4-12-5-14-8)3-13-10-9-11(16-6-15-9)18-7-17-10/h4-7H,1-3H2,(H,12,14)(H2,13,15,16,17,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210462 (2-(benzylthio)-2-methylpropan-1-amine | CHEMBL2272...) Show SMILES CC(C)(CN)SCc1ccccc1 Show InChI InChI=1S/C11H17NS/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210461 ((stilbamidine)4-[2-[4-amino(imino)methylphenyl]-(E...) Show SMILES NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1 Show InChI InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210467 (CHEMBL228132 | N-(5-nitro-1H-benzoimidazol-2-yl)-g...) Show SMILES NC([NH-])=[NH+]c1nc2ccc(cc2[nH]1)[N+]([O-])=O |w:3.3| Show InChI InChI=1S/C8H7N6O2/c9-7(10)13-8-11-5-2-1-4(14(15)16)3-6(5)12-8/h1-3H,(H4-,9,10,11,12,13)/q-1/p+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50210460 ((4-methyl-benzyl)-(9H-purin-6-yl)-amine | CHEMBL44...) Show SMILES Cc1ccc(CNc2ncnc3nc[nH]c23)cc1 Show InChI InChI=1S/C13H13N5/c1-9-2-4-10(5-3-9)6-14-12-11-13(16-7-15-11)18-8-17-12/h2-5,7-8H,6H2,1H3,(H2,14,15,16,17,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University of Freiburg Curated by ChEMBL					Assay Description Inhibition of human recombinant PRMT1 by TRF assay				J Med Chem 50: 2319-25 (2007) Article DOI: 10.1021/jm061250e BindingDB Entry DOI: 10.7270/Q2862H8Q
					More data for this Ligand-Target Pair