BDBM50505573 CHEMBL4577068

SMILES: CC1(C)C(N)=Nc2cc(OCCCN3Cc4ccc(OCc5cn(CC(=O)N6CCC(CCN7CCCC7)CC6)nn5)cc4C3)c(OCC3CC3)cc12

InChI Key: InChIKey=UTRTZBSUZOWVCN-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50505573   

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)	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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	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
					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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	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
					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 UniProtKB/TrEMBL 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
					More data for this Ligand-Target Pair