Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'N-lysine methyltransferase SMYD2' and Ligand = 'BDBM50519300'   

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
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SMYD2 (1 to 433 residues) expressed in baculovirus infected Sf9 insect cells using biotinylated-p53 peptide (361 to 3...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human U2OS cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methy...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in HEK293 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methylati...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human MDA-MB-231 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human HeLa cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methy...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human CAL120 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 met...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-lysine methyltransferase SMYD2 (Homo sapiens (Human))	BDBM50519300 (CHEMBL4520134) Show SMILES Cc1cc2n(cnc2c(N)n1)C1(C)CN(C1)C(=O)c1ccn(CC2CCN(CC2)[C@@H]2CCCCC=C2)c1 |r,c:38| Show InChI InChI=1S/C29H39N7O/c1-21-15-25-26(27(30)32-21)31-20-36(25)29(2)18-35(19-29)28(37)23-11-12-33(17-23)16-22-9-13-34(14-10-22)24-7-5-3-4-6-8-24/h5,7,11-12,15,17,20,22,24H,3-4,6,8-10,13-14,16,18-19H2,1-2H3,(H2,30,32)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of V5-tagged SMYD2 (unknown origin) transfected in human MCF7 cells co-transfected with FLAG-tagged p53 assessed as reduction in p53 methy...				J Med Chem 62: 7669-7683 (2019) Article DOI: 10.1021/acs.jmedchem.9b00112 BindingDB Entry DOI: 10.7270/Q2R78JK4
					More data for this Ligand-Target Pair				3D Structure (crystal)