BDBM50505572 CHEMBL4452624

SMILES: CC1(C)C(N)=Nc2cc(OCCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12

InChI Key: InChIKey=FOBGCBSESHUBEI-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50505572   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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 UniProtKB/TrEMBL 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
					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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair