Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50039993   

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))	BDBM50387477 (CHEMBL2047477) Show SMILES CCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CC)c2cccc3cccc1c23 Show InChI InChI=1S/C29H25N2/c1-3-30-24(22-14-5-10-20-12-7-18-26(30)28(20)22)16-9-17-25-23-15-6-11-21-13-8-19-27(29(21)23)31(25)4-2/h5-19H,3-4H2,1-2H3/q+1/b24-16-,25-17-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387482 (CHEMBL2047480) Show SMILES CC1(C)\C(=C\C=C/C2=[N+](CCCc3ccccc3)c3ccccc3C2(C)C)N(CCCc2ccccc2)c2ccccc12 |c:7| Show InChI InChI=1S/C41H45N2/c1-40(2)34-24-11-13-26-36(34)42(30-16-22-32-18-7-5-8-19-32)38(40)28-15-29-39-41(3,4)35-25-12-14-27-37(35)43(39)31-17-23-33-20-9-6-10-21-33/h5-15,18-21,24-29H,16-17,22-23,30-31H2,1-4H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387478 (CHEMBL2046454) Show SMILES CCCCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CCCC)c2cccc3cccc1c23 Show InChI InChI=1S/C33H33N2/c1-3-5-22-34-28(26-16-7-12-24-14-9-20-30(34)32(24)26)18-11-19-29-27-17-8-13-25-15-10-21-31(33(25)27)35(29)23-6-4-2/h7-21H,3-6,22-23H2,1-2H3/q+1/b28-18-,29-19-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387487 (CHEMBL2047487) Show SMILES CC1(C)\C(=C\C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:7| Show InChI InChI=1S/C49H49N2/c1-48(2)44(50(34-16-22-36-18-7-5-8-19-36)42-32-30-38-24-11-13-26-40(38)46(42)48)28-15-29-45-49(3,4)47-41-27-14-12-25-39(41)31-33-43(47)51(45)35-17-23-37-20-9-6-10-21-37/h5-15,18-21,24-33H,16-17,22-23,34-35H2,1-4H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387479 (CHEMBL2047478) Show SMILES C(Cc1ccccc1)Cn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CCCc2ccccc2)c2cccc3cccc1c23 Show InChI InChI=1S/C43H37N2/c1-3-14-32(15-4-1)18-12-30-44-38(36-24-7-20-34-22-9-28-40(44)42(34)36)26-11-27-39-37-25-8-21-35-23-10-29-41(43(35)37)45(39)31-13-19-33-16-5-2-6-17-33/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1/b38-26-,39-27-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387486 (CHEMBL2047486) Show SMILES CCCCN1\C(=C/C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |c:9| Show InChI InChI=1S/C39H45N2/c1-7-9-26-40-32-24-22-28-16-11-13-18-30(28)36(32)38(3,4)34(40)20-15-21-35-39(5,6)37-31-19-14-12-17-29(31)23-25-33(37)41(35)27-10-8-2/h11-25H,7-10,26-27H2,1-6H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387485 (CHEMBL2047485) Show SMILES CCN1\C(=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |c:7| Show InChI InChI=1S/C35H37N2/c1-7-36-28-22-20-24-14-9-11-16-26(24)32(28)34(3,4)30(36)18-13-19-31-35(5,6)33-27-17-12-10-15-25(27)21-23-29(33)37(31)8-2/h9-23H,7-8H2,1-6H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387481 (CHEMBL2047479) Show SMILES CCCCN1\C(=C/C=C\C2=[N+](CCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:9| Show InChI InChI=1S/C31H41N2/c1-7-9-22-32-26-18-13-11-16-24(26)30(3,4)28(32)20-15-21-29-31(5,6)25-17-12-14-19-27(25)33(29)23-10-8-2/h11-21H,7-10,22-23H2,1-6H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387480 (CHEMBL467894 | Cyanines, 5) Show SMILES CCN1\C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7| Show InChI InChI=1S/C27H33N2/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2/h9-19H,7-8H2,1-6H3/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387484 (CHEMBL2047482) Show SMILES CC1(C)\C(=C\C=C/C2=[N+](CCC[N+](C)(C)C)c3ccc(Br)cc3C2(C)C)N(CCC[N+](C)(C)C)c2ccc(Br)cc12 |c:7| Show InChI InChI=1S/C35H51Br2N4/c1-34(2)28-24-26(36)16-18-30(28)38(20-12-22-40(5,6)7)32(34)14-11-15-33-35(3,4)29-25-27(37)17-19-31(29)39(33)21-13-23-41(8,9)10/h11,14-19,24-25H,12-13,20-23H2,1-10H3/q+3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50387483 (CHEMBL2047481) Show SMILES CC1(C)\C(=C\C=C/C2=[N+](CCC[N+](C)(C)C)c3ccccc3C2(C)C)N(CCC[N+](C)(C)C)c2ccccc12 |c:7| Show InChI InChI=1S/C35H53N4/c1-34(2)28-18-11-13-20-30(28)36(24-16-26-38(5,6)7)32(34)22-15-23-33-35(3,4)29-19-12-14-21-31(29)37(33)25-17-27-39(8,9)10/h11-15,18-23H,16-17,24-27H2,1-10H3/q+3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.68E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia State University Curated by ChEMBL					Assay Description Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...				Eur J Med Chem 54: 647-59 (2012) Article DOI: 10.1016/j.ejmech.2012.06.017 BindingDB Entry DOI: 10.7270/Q2XD12R6
					More data for this Ligand-Target Pair