Compile Data Set for Download or QSAR

Found 14 hits of ic50 data for polymerid = 8237,9433   

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
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM191598 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM195612 (GSK467) Show SMILES O=c1[nH]c(Oc2cnn(Cc3ccccc3)c2)nc2cnccc12 Show InChI InChI=1S/C17H13N5O2/c23-16-14-6-7-18-9-15(14)20-17(21-16)24-13-8-19-22(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) Show SMILES CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H28N4O3/c1-5-21(10-9-20(3)4)16(22)13-18-12-15-11-14(7-8-19-15)17(23)24-6-2/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223318 (KDOAM-28) Show SMILES CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1 Show InChI InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223320 (KDOAM-25) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O Show InChI InChI=1S/C15H25N5O2/c1-4-20(8-7-19(2)3)14(21)11-17-10-13-9-12(15(16)22)5-6-18-13/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	558	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00680 BindingDB Entry DOI: 10.7270/Q2W95F76
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM223319 (KDOAM-29) Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N(C)C Show InChI InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b...				Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM60875 (3-((6-(4,5-Dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(...) Show SMILES OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 Show InChI InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (Homo sapiens (Human))	BDBM195608 (CPI-455) Show SMILES CC(C)c1c([nH]c2c(cnn2c1=O)C#N)-c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9-10,19H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM26113 (2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...) Show SMILES OC(=O)c1ccnc(c1)C(O)=O Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D [1-775] (Homo sapiens (Human))	BDBM26106 (CHEMBL90852 | N-oxalyl glycine, 1a | NOG | Oxalylg...) Show SMILES OC(=O)CNC(=O)C(O)=O Show InChI InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Oxford					Assay Description The demethylase AlphaScreen assay was performed in 384-well plate format using white proxiplates (PerkinElmer), and transfer of compound (100 nl) was...				Nat Chem Biol 12: 539-45 (2016) Article DOI: 10.1038/nchembio.2087 BindingDB Entry DOI: 10.7270/Q27P8X6K
					More data for this Ligand-Target Pair