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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Spindlin-1' and Ligand = 'BDBM50446376'   
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-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 72n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 ...


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
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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PubMed
n/an/a 186n/an/an/an/an/an/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) incubated for 30 mins by AlphaLI...


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
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 207n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cell...


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
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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n/an/a 1.50E+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
BindingDB Entry DOI: 10.7270/Q27S7S2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
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Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of H3(1-12)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) c...


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
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
PDB
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KEGG

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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
n/an/an/a 393n/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged SPIN1 (26 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
3D
3D Structure (crystal)
Spindlin-1


(Homo sapiens)
BDBM50446376
PNG
(CHEMBL3109630)
Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19|
Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 180n/an/an/an/an/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
3D
3D Structure (crystal)