Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'ansari' and Initial = 'a'   

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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501684 (US11028058, Compound 1.309) Show SMILES Cn1ccc(n1)-c1nc(N)c(nc1-c1cc(Cl)c2ncccc2c1)C#N Show InChI InChI=1S/C18H12ClN7/c1-26-6-4-13(25-26)17-16(23-14(9-20)18(21)24-17)11-7-10-3-2-5-22-15(10)12(19)8-11/h2-8H,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501676 (US11028058, Compound 1.271) Show SMILES Cc1ccn(n1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1 Show InChI InChI=1S/C17H13ClN6/c1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12/h2-9H,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501677 (US11028058, Compound 1.292) Show SMILES Cc1ccn(n1)-c1nc(N)c(nc1-c1cc(Cl)c2ncccc2c1)C#N Show InChI InChI=1S/C18H12ClN7/c1-10-4-6-26(25-10)18-16(23-14(9-20)17(21)24-18)12-7-11-3-2-5-22-15(11)13(19)8-12/h2-8H,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501679 (US11028058, Compound 1.290) Show SMILES Cc1ccn(n1)-c1nc(N)c(nc1-c1ccc2ncccc2c1)C#N Show InChI InChI=1S/C18H13N7/c1-11-6-8-25(24-11)18-16(22-15(10-19)17(20)23-18)13-4-5-14-12(9-13)3-2-7-21-14/h2-9H,1H3,(H2,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501680 (US11028058, Compound 1.295) Show SMILES Cc1ccn(n1)-c1nc(N)cnc1-c1cc(Cl)c2[nH]ncc2c1 Show InChI InChI=1S/C15H12ClN7/c1-8-2-3-23(22-8)15-14(18-7-12(17)20-15)9-4-10-6-19-21-13(10)11(16)5-9/h2-7H,1H3,(H2,17,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501682 (US11028058, Compound 1.304) Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1cc(Cl)c2[nH]ncc2c1 Show InChI InChI=1S/C15H12ClN7/c1-23-3-2-11(22-23)15-14(18-7-12(17)20-15)8-4-9-6-19-21-13(9)10(16)5-8/h2-7H,1H3,(H2,17,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501686 (US11028058, Compound 1.318) Show SMILES Cc1ncc(s1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1 Show InChI InChI=1S/C17H12ClN5S/c1-9-21-7-13(24-9)17-16(22-8-14(19)23-17)11-5-10-3-2-4-20-15(10)12(18)6-11/h2-8H,1H3,(H2,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501681 (US11028058, Compound 1.297) Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1cc(Cl)c2ncccc2c1 Show InChI InChI=1S/C17H13ClN6/c1-24-6-4-13(23-24)17-16(21-9-14(19)22-17)11-7-10-3-2-5-20-15(10)12(18)8-11/h2-9H,1H3,(H2,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50468244 (CHEMBL4284413) Show SMILES O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ccccc1 Show InChI InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR L858R mutant expressed in Sf9 cells in presence of 1 mM ATP by HTRF assay				Eur J Med Chem 142: 32-47 (2017) Article DOI: 10.1016/j.ejmech.2017.05.027 BindingDB Entry DOI: 10.7270/Q2T156B8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM464678 (US10793561, Compound 1.14) Show SMILES O=c1cc[nH]c2nc(-c3ccco3)c(cc12)-c1ccc2ncccc2c1 Show InChI InChI=1S/C21H13N3O2/c25-18-7-9-23-21-16(18)12-15(20(24-21)19-4-2-10-26-19)13-5-6-17-14(11-13)3-1-8-22-17/h1-12H,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the adenosine A2A receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US10793561 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SX9
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501678 (US11028058, Compound 1.288) Show SMILES Cc1ncc(s1)-c1nc(N)cnc1-c1ccc2ncccc2c1 Show InChI InChI=1S/C17H13N5S/c1-10-20-8-14(23-10)17-16(21-9-15(18)22-17)12-4-5-13-11(7-12)3-2-6-19-13/h2-9H,1H3,(H2,18,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55.5	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501675 (US11028058, Compound 1.1) Show SMILES Nc1cnc(-c2ccc(O)c(Cl)c2)c(n1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3O/c17-12-8-11(6-7-13(12)21)15-16(20-14(18)9-19-15)10-4-2-1-3-5-10/h1-9,21H,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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
Adenosine receptor A2a (Homo sapiens (Human))	BDBM501685 (US11028058, Compound 1.315) Show SMILES Cn1ccc(n1)-c1nc(N)cnc1-c1ccc2c(cc[nH]c2=O)c1 Show InChI InChI=1S/C17H14N6O/c1-23-7-5-13(22-23)16-15(20-9-14(18)21-16)11-2-3-12-10(8-11)4-6-19-17(12)24/h2-9H,1H3,(H2,18,21)(H,19,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the A2A adenosine receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US11028058 (2021) BindingDB Entry DOI: 10.7270/Q23J3H46
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM464677 (US10793561, Compound 1.5) Show SMILES COc1ccc2cc(ccc2n1)-c1cc2c(nc1-c1ccccc1)[nH]ccc2=O Show InChI InChI=1S/C24H17N3O2/c1-29-22-10-8-17-13-16(7-9-20(17)26-22)18-14-19-21(28)11-12-25-24(19)27-23(18)15-5-3-2-4-6-15/h2-14H,1H3,(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
NUVATION BIO INC. US Patent					Assay Description For the adenosine A2A receptor radioligand binding assay, the following modifications were made to the general protocol. GF/C filters (Perkin Elmer, ...				US Patent US10793561 (2020) BindingDB Entry DOI: 10.7270/Q2ST7SX9
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50205630 (CHEMBL3915266) Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3N(CCc23)C2CCOCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1 Show InChI InChI=1S/C33H40N4O4/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-26(19-31-28(29)7-10-37(31)27-8-13-40-14-9-27)25-5-3-24(4-6-25)21-36-11-15-41-16-12-36/h3-6,17-19,27H,7-16,20-21H2,1-2H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245703 (CHEMBL4103440) Show SMILES COc1ccc(cc1)-c1nnc(s1)-n1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C23H15ClN4O2S/c1-30-17-10-7-15(8-11-17)21-26-27-23(31-21)28-20(14-5-3-2-4-6-14)25-19-13-16(24)9-12-18(19)22(28)29/h2-13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	378	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245700 (CHEMBL4077349) Show SMILES Brc1ccc(cc1)C(=O)Nn1c(nc2ccccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C21H14BrN3O2/c22-16-12-10-15(11-13-16)20(26)24-25-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)21(25)27/h1-13H,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245705 (CHEMBL4079183) Show SMILES Clc1ccc2c(c1)nc(-c1ccccc1)n(-c1nnc(s1)C1CC1)c2=O Show InChI InChI=1S/C19H13ClN4OS/c20-13-8-9-14-15(10-13)21-16(11-4-2-1-3-5-11)24(18(14)25)19-23-22-17(26-19)12-6-7-12/h1-5,8-10,12H,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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 EZH2 (Homo sapiens (Human))	BDBM50205640 (CHEMBL3901407) Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3N(CCc23)C2CCCC2)C#N)c(=O)[nH]1 Show InChI InChI=1S/C23H26N4O2/c1-14-9-15(2)26-23(29)20(14)13-25-22(28)19-10-16(12-24)11-21-18(19)7-8-27(21)17-5-3-4-6-17/h9-11,17H,3-8,13H2,1-2H3,(H,25,28)(H,26,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	571	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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 wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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 wild type EZH2 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))	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245702 (CHEMBL4060821) Show SMILES Clc1ccc2c(c1)nc(-c1ccccc1)n(-c1nnc(s1)-c1ccccc1)c2=O Show InChI InChI=1S/C22H13ClN4OS/c23-16-11-12-17-18(13-16)24-19(14-7-3-1-4-8-14)27(21(17)28)22-26-25-20(29-22)15-9-5-2-6-10-15/h1-13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245707 (CHEMBL4074248) Show SMILES NCCn1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C16H14ClN3O/c17-12-6-7-13-14(10-12)19-15(11-4-2-1-3-5-11)20(9-8-18)16(13)21/h1-7,10H,8-9,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+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 wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+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 wild type EZH2 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 EZH2 (Homo sapiens (Human))	BDBM50205633 (CHEMBL3909213) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H39N7O3/c1-19-12-21(3)36-30(40)26(19)17-33-29(39)25-13-22(23-15-34-31(35-16-23)37-8-6-32-7-9-37)14-27-28(25)20(2)18-38(27)24-4-10-41-11-5-24/h12-16,20,24,32H,4-11,17-18H2,1-3H3,(H,33,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+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 wild type EZH2 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 EZH2 (Homo sapiens (Human))	BDBM50205633 (CHEMBL3909213) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H39N7O3/c1-19-12-21(3)36-30(40)26(19)17-33-29(39)25-13-22(23-15-34-31(35-16-23)37-8-6-32-7-9-37)14-27-28(25)20(2)18-38(27)24-4-10-41-11-5-24/h12-16,20,24,32H,4-11,17-18H2,1-3H3,(H,33,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.16E+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 wild type EZH2 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50245701 (CHEMBL4083467) Show SMILES Cc1nnc(s1)-n1c(nc2cc(Cl)ccc2c1=O)-c1ccccc1 Show InChI InChI=1S/C17H11ClN4OS/c1-10-20-21-17(24-10)22-15(11-5-3-2-4-6-11)19-14-9-12(18)7-8-13(14)16(22)23/h2-9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
R. C. Patel Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 5 mins with substrate followed by ATP addition measured after 30 mins by HTRF method				Bioorg Med Chem 25: 2713-2723 (2017) Article DOI: 10.1016/j.bmc.2017.03.039 BindingDB Entry DOI: 10.7270/Q2NP26TD
					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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+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 wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+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 wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.98E+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 wild type EZH2 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 EZH2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.98E+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 wild type EZH2 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

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