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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Spindlin-4'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Spindlin-4


(Homo sapiens)
BDBM50519514
PNG
(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
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 170n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged SPIN4 (36 to 249 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
Spindlin-4


(Homo sapiens)
BDBM50505574
PNG
(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
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NCI pathway
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KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 18n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged SPIN4 (36 to 249 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