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BDBM50505584 CHEMBL4457929

SMILES: CC1(C)C(N)=Nc2cc(OCCCCN3Cc4ccccc4C3)c(OCC3CC3)cc12

InChI Key: InChIKey=CZGCLEVVQLNSLZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50505584   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Spindlin-1


(Homo sapiens)		BDBM50505584
PNG
(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
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.92E+3n/an/an/an/an/an/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