Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50048130   

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
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205635 (CHEMBL3898133) Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H40N6O2/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-8-9-29(34-17-23)37-12-10-33-11-13-37)16-28-30(26)21(2)19-38(28)25-6-4-5-7-25/h8-9,14-17,21,25,33H,4-7,10-13,18-19H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205627 (CHEMBL3914517) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12 Show InChI InChI=1S/C36H42N6O3/c1-22-16-24(3)40-36(44)30(22)19-39-35(43)29-17-25(18-32-33(29)23(2)21-42(32)26-8-14-45-15-9-26)31-20-38-34(41-12-10-37-11-13-41)28-7-5-4-6-27(28)31/h4-7,16-18,20,23,26,37H,8-15,19,21H2,1-3H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205632 (CHEMBL3901570) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C30H38N6O2/c1-18(2)36-17-20(4)28-24(29(37)33-16-25-19(3)12-21(5)34-30(25)38)13-23(14-26(28)36)22-6-7-27(32-15-22)35-10-8-31-9-11-35/h6-7,12-15,18,20,31H,8-11,16-17H2,1-5H3,(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205626 (CHEMBL3900506) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205636 (CHEMBL3923183) Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205629 (CHEMBL3905192) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205639 (CHEMBL3892623) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205634 (CHEMBL3933203) Show SMILES CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)C#N Show InChI InChI=1S/C24H28N4O2/c1-14-8-16(3)27-24(30)20(14)12-26-23(29)19-9-17(11-25)10-21-22(19)15(2)13-28(21)18-6-4-5-7-18/h8-10,15,18H,4-7,12-13H2,1-3H3,(H,26,29)(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH1 (Homo sapiens (Human))	BDBM50205628 (CHEMBL3906288) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)C#N Show InChI InChI=1S/C22H26N4O2/c1-12(2)26-11-14(4)20-17(7-16(9-23)8-19(20)26)21(27)24-10-18-13(3)6-15(5)25-22(18)28/h6-8,12,14H,10-11H2,1-5H3,(H,24,27)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair