Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Spindlin-1' and Ligand = 'BDBM50505578'   

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
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)	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-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