Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'fagan' and Initial = 'v'   

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 EHMT2 (Homo sapiens (Human))	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin)				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505576 (CHEMBL4458252) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:19| Show InChI InChI=1S/C20H29N3O2/c1-24-17-13-15-16(22-19(21)20(15)7-2-3-8-20)14-18(17)25-12-6-11-23-9-4-5-10-23/h13-14H,2-12H2,1H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505583 (CHEMBL4573889) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-28-31-6-7-31)39(24-37(36)44-41(42)43)52-21-5-16-48-25-32-8-9-35(22-33(32)26-48)53-29-34-27-50(46-45-34)20-13-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505578 (CHEMBL4570122) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C43H60N8O4/c1-43(2)37-25-39(55-30-32-6-7-32)40(26-38(37)45-42(43)44)54-22-5-17-49-27-33-8-9-36(24-34(33)28-49)53-23-14-35-29-51(47-46-35)21-13-41(52)50-19-11-31(12-20-50)10-18-48-15-3-4-16-48/h8-9,24-26,29,31-32H,3-7,10-23,27-28,30H2,1-2H3,(H2,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50519514 (CHEMBL4552020) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1Cc2ccccc2C1 Show InChI InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505582 (CHEMBL4465568) Show SMILES CCOc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:20| Show InChI InChI=1S/C21H31N3O2/c1-2-25-18-14-16-17(23-20(22)21(16)8-3-4-9-21)15-19(18)26-13-7-12-24-10-5-6-11-24/h14-15H,2-13H2,1H3,(H2,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505573 (CHEMBL4577068) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C41H56N8O4/c1-41(2)35-21-37(53-27-30-6-7-30)38(22-36(35)43-40(41)42)51-19-5-15-47-23-31-8-9-34(20-32(31)24-47)52-28-33-25-49(45-44-33)26-39(50)48-17-11-29(12-18-48)10-16-46-13-3-4-14-46/h8-9,20-22,25,29-30H,3-7,10-19,23-24,26-28H2,1-2H3,(H2,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by AlphaLI...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50519514 (CHEMBL4552020) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1Cc2ccccc2C1 Show InChI InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50519513 (CHEMBL4588285) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1CCCC1 Show InChI InChI=1S/C16H27N3O2/c1-20-16-14(12-18)9-13(11-17)10-15(16)21-8-4-7-19-5-2-3-6-19/h9-10H,2-8,11-12,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	338	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505579 (CHEMBL4591023) Show SMILES COc1ccc2CN(CCCOc3cc4N=C(N)C5(CCCC5)c4cc3OCC3CC3)Cc2c1 |t:15| Show InChI InChI=1S/C28H35N3O3/c1-32-22-8-7-20-16-31(17-21(20)13-22)11-4-12-33-26-15-24-23(14-25(26)34-18-19-5-6-19)28(27(29)30-24)9-2-3-10-28/h7-8,13-15,19H,2-6,9-12,16-18H2,1H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505571 (CHEMBL4528213) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C25H31N3O2/c1-25(2)20-12-22(30-16-17-8-9-17)23(13-21(20)27-24(25)26)29-11-5-10-28-14-18-6-3-4-7-19(18)15-28/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505570 (CHEMBL4476309) Show SMILES NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc2C11CCCC1 |t:1| Show InChI InChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505585 (CHEMBL4518756) Show SMILES COc1ccc2CN(CCCOc3cc4N=C(N)C5(CCCC5)c4cc3OC)Cc2c1 |t:15| Show InChI InChI=1S/C25H31N3O3/c1-29-19-7-6-17-15-28(16-18(17)12-19)10-5-11-31-23-14-21-20(13-22(23)30-2)25(24(26)27-21)8-3-4-9-25/h6-7,12-14H,3-5,8-11,15-16H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505581 (CHEMBL4569420) Show SMILES COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1 |t:24| Show InChI InChI=1S/C24H29N3O2/c1-28-21-13-19-20(26-23(25)24(19)9-4-5-10-24)14-22(21)29-12-6-11-27-15-17-7-2-3-8-18(17)16-27/h2-3,7-8,13-14H,4-6,9-12,15-16H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50519513 (CHEMBL4588285) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1CCCC1 Show InChI InChI=1S/C16H27N3O2/c1-20-16-14(12-18)9-13(11-17)10-15(16)21-8-4-7-19-5-2-3-6-19/h9-10H,2-8,11-12,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505576 (CHEMBL4458252) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:19| Show InChI InChI=1S/C20H29N3O2/c1-24-17-13-15-16(22-19(21)20(15)7-2-3-8-20)14-18(17)25-12-6-11-23-9-4-5-10-23/h13-14H,2-12H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505577 (CHEMBL4554293) Show SMILES CC(C)Oc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:21| Show InChI InChI=1S/C22H33N3O2/c1-16(2)27-20-14-17-18(24-21(23)22(17)8-3-4-9-22)15-19(20)26-13-7-12-25-10-5-6-11-25/h14-16H,3-13H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505586 (CHEMBL4472432) Show SMILES NC1=Nc2cc(OCCCN3CCCC3)c(OCC3CC3)cc2C11CCCC1 |t:1| Show InChI InChI=1S/C23H33N3O2/c24-22-23(8-1-2-9-23)18-14-20(28-16-17-6-7-17)21(15-19(18)25-22)27-13-5-12-26-10-3-4-11-26/h14-15,17H,1-13,16H2,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505582 (CHEMBL4465568) Show SMILES CCOc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:20| Show InChI InChI=1S/C21H31N3O2/c1-2-25-18-14-16-17(23-20(22)21(16)8-3-4-9-21)15-19(18)26-13-7-12-24-10-5-6-11-24/h14-15H,2-13H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505586 (CHEMBL4472432) Show SMILES NC1=Nc2cc(OCCCN3CCCC3)c(OCC3CC3)cc2C11CCCC1 |t:1| Show InChI InChI=1S/C23H33N3O2/c24-22-23(8-1-2-9-23)18-14-20(28-16-17-6-7-17)21(15-19(18)25-22)27-13-5-12-26-10-3-4-11-26/h14-15,17H,1-13,16H2,(H2,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50519514 (CHEMBL4552020) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1Cc2ccccc2C1 Show InChI InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of C-terminal Halo Tag-histone H3.3/N-terminal Nano Luciferase-fused full length SPIN1 (unknown origin) transfected in human U2OS cells as...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505572 (CHEMBL4452624) Show SMILES CC1(C)C(N)=Nc2cc(OCCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-22-38(54-28-31-7-8-31)39(23-37(36)44-41(42)43)52-20-6-5-16-48-24-32-9-10-35(21-33(32)25-48)53-29-34-26-50(46-45-34)27-40(51)49-18-12-30(13-19-49)11-17-47-14-3-4-15-47/h9-10,21-23,26,30-31H,3-8,11-20,24-25,27-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505587 (CHEMBL4483580) Show SMILES NC1=Nc2cc(OCCCCN3Cc4ccccc4C3)c(OCC3CC3)cc2C11CCCC1 |t:1| Show InChI InChI=1S/C28H35N3O2/c29-27-28(11-3-4-12-28)23-15-25(33-19-20-9-10-20)26(16-24(23)30-27)32-14-6-5-13-31-17-21-7-1-2-8-22(21)18-31/h1-2,7-8,15-16,20H,3-6,9-14,17-19H2,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505580 (CHEMBL4472373) Show SMILES COc1cccc2CN(CCCOc3cc4N=C(N)C5(CCCC5)c4cc3OC)Cc12 |t:16| Show InChI InChI=1S/C25H31N3O3/c1-29-21-8-5-7-17-15-28(16-18(17)21)11-6-12-31-23-14-20-19(13-22(23)30-2)25(24(26)27-20)9-3-4-10-25/h5,7-8,13-14H,3-4,6,9-12,15-16H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505584 (CHEMBL4457929) Show SMILES CC1(C)C(N)=Nc2cc(OCCCCN3Cc4ccccc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C26H33N3O2/c1-26(2)21-13-23(31-17-18-9-10-18)24(14-22(21)28-25(26)27)30-12-6-5-11-29-15-19-7-3-4-8-20(19)16-29/h3-4,7-8,13-14,18H,5-6,9-12,15-17H2,1-2H3,(H2,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50353128 (CHEMBL1231795) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505577 (CHEMBL4554293) Show SMILES CC(C)Oc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:21| Show InChI InChI=1S/C22H33N3O2/c1-16(2)27-20-14-17-18(24-21(23)22(17)8-3-4-9-22)15-19(20)26-13-7-12-25-10-5-6-11-25/h14-16H,3-13H2,1-2H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50505581 (CHEMBL4569420) Show SMILES COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1 |t:24| Show InChI InChI=1S/C24H29N3O2/c1-28-21-13-19-20(26-23(25)24(19)9-4-5-10-24)14-22(21)29-12-6-11-27-15-17-7-2-3-8-18(17)16-27/h2-3,7-8,13-14H,4-6,9-12,15-16H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) by scintillation proximity Assay				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505578 (CHEMBL4570122) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C43H60N8O4/c1-43(2)37-25-39(55-30-32-6-7-32)40(26-38(37)45-42(43)44)54-22-5-17-49-27-33-8-9-36(24-34(33)28-49)53-23-14-35-29-51(47-46-35)21-13-41(52)50-19-11-31(12-20-50)10-18-48-15-3-4-16-48/h8-9,24-26,29,31-32H,3-7,10-23,27-28,30H2,1-2H3,(H2,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-3 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN3 (27 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505572 (CHEMBL4452624) Show SMILES CC1(C)C(N)=Nc2cc(OCCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-22-38(54-28-31-7-8-31)39(23-37(36)44-41(42)43)52-20-6-5-16-48-24-32-9-10-35(21-33(32)25-48)53-29-34-26-50(46-45-34)27-40(51)49-18-12-30(13-19-49)11-17-47-14-3-4-15-47/h9-10,21-23,26,30-31H,3-8,11-20,24-25,27-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50446376 (CHEMBL3109630) Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505583 (CHEMBL4573889) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-28-31-6-7-31)39(24-37(36)44-41(42)43)52-21-5-16-48-25-32-8-9-35(22-33(32)26-48)53-29-34-27-50(46-45-34)20-13-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505583 (CHEMBL4573889) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-28-31-6-7-31)39(24-37(36)44-41(42)43)52-21-5-16-48-25-32-8-9-35(22-33(32)26-48)53-29-34-27-50(46-45-34)20-13-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubat...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505575 (CHEMBL4476514) Show SMILES O=C(N1CCC(CCN2CCCC2)CC1)c1ccc(C(=O)N2CCC(CCN3CCCC3)CC2)c(Nc2ccc(OCN3CCCC3)cc2)c1 Show InChI InChI=1S/C41H60N6O3/c48-40(46-27-15-33(16-28-46)13-25-43-19-1-2-20-43)35-7-12-38(41(49)47-29-17-34(18-30-47)14-26-44-21-3-4-22-44)39(31-35)42-36-8-10-37(11-9-36)50-32-45-23-5-6-24-45/h7-12,31,33-34,42H,1-6,13-30,32H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of SPIN1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505571 (CHEMBL4528213) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C25H31N3O2/c1-25(2)20-12-22(30-16-17-8-9-17)23(13-21(20)27-24(25)26)29-11-5-10-28-14-18-6-3-4-7-19(18)15-28/h3-4,6-7,12-13,17H,5,8-11,14-16H2,1-2H3,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Lethal(3)malignant brain tumor-like protein 3 (Homo sapiens (Human))	BDBM50440614 (CHEMBL2426364) Show SMILES O=C(N1CCC(CC1)N1CCCC1)c1ccc(C(=O)N2CCC(CC2)N2CCCC2)c(Nc2ccccc2)c1 Show InChI InChI=1S/C32H43N5O2/c38-31(36-20-12-27(13-21-36)34-16-4-5-17-34)25-10-11-29(30(24-25)33-26-8-2-1-3-9-26)32(39)37-22-14-28(15-23-37)35-18-6-7-19-35/h1-3,8-11,24,27-28,33H,4-7,12-23H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of L3MBTL3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
E3 SUMO-protein ligase CBX4 (Homo sapiens (Human))	BDBM50519512 (CHEMBL4449240) Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r| Show InChI InChI=1S/C37H62N6O8/c1-11-43(12-2)20-14-13-15-28(34(48)42-30(22-44)36(50)51-10)40-35(49)29(21-23(3)4)41-32(46)25(6)38-31(45)24(5)39-33(47)26-16-18-27(19-17-26)37(7,8)9/h16-19,23-25,28-30,44H,11-15,20-22H2,1-10H3,(H,38,45)(H,39,47)(H,40,49)(H,41,46)(H,42,48)/t24-,25-,28-,29-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of CBX4 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505578 (CHEMBL4570122) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CCC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C43H60N8O4/c1-43(2)37-25-39(55-30-32-6-7-32)40(26-38(37)45-42(43)44)54-22-5-17-49-27-33-8-9-36(24-34(33)28-49)53-23-14-35-29-51(47-46-35)21-13-41(52)50-19-11-31(12-20-50)10-18-48-15-3-4-16-48/h8-9,24-26,29,31-32H,3-7,10-23,27-28,30H2,1-2H3,(H2,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubat...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubat...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50505574 (CHEMBL4451634) Show SMILES CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12 |c:4| Show InChI InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	270	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of C-terminal Halotag-histone 3.3 tagged SPIN1 (unknown origin) transfected in human U2OS cells cotransfected with nano-luciferase at 1 uM...				J Med Chem 62: 9008-9025 (2019) Article DOI: 10.1021/acs.jmedchem.9b00562 BindingDB Entry DOI: 10.7270/Q27S7S2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Spindlin-1 (Homo sapiens)	BDBM50519513 (CHEMBL4588285) Show SMILES COc1c(CN)cc(CN)cc1OCCCN1CCCC1 Show InChI InChI=1S/C16H27N3O2/c1-20-16-14(12-18)9-13(11-17)10-15(16)21-8-4-7-19-5-2-3-6-19/h9-10H,2-8,11-12,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissocia...				J Med Chem 62: 8996-9007 (2019) Article DOI: 10.1021/acs.jmedchem.9b00522 BindingDB Entry DOI: 10.7270/Q2JM2F0X
					More data for this Ligand-Target Pair

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