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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50004239   
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
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50042942
PNG
(CHEMBL3355003)
Show SMILES CC(C)n1nc(cc1C1CCN(C)CC1)-c1cnc2[nH]cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5/c1-12(2)28-18(13-4-6-27(3)7-5-13)9-17(26-28)14-8-15-16(20(21,22)23)11-25-19(15)24-10-14/h8-13H,4-7H2,1-3H3,(H,24,25)
KEGG

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0.170n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin) by RT-FRET assay


ACS Med Chem Lett 6: 11-2 (2015)


Article DOI: 10.1021/ml500347s
BindingDB Entry DOI: 10.7270/Q26W9CQT
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50042940
PNG
(CHEMBL3355005)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc2[nH]cc(c2c1)C(F)(F)F)C1COC1 |r|
KEGG

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0.400n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin) by RT-FRET assay


ACS Med Chem Lett 6: 11-2 (2015)


Article DOI: 10.1021/ml500347s
BindingDB Entry DOI: 10.7270/Q26W9CQT
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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PubMed
6.30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 61: 8078-8087 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00370
BindingDB Entry DOI: 10.7270/Q2G163G3
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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36n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 61: 8078-8087 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00370
BindingDB Entry DOI: 10.7270/Q2G163G3
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50042941
PNG
(CHEMBL3355004)
Show SMILES CC(C)n1nc(cc1C1CCN(C1)C1COC1)-c1cnc2[nH]cc(F)c2c1
KEGG

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PubMed
110n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin) by RT-FRET assay


ACS Med Chem Lett 6: 11-2 (2015)


Article DOI: 10.1021/ml500347s
BindingDB Entry DOI: 10.7270/Q26W9CQT
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50042939
PNG
(CHEMBL3355006)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c2cn[nH]c12)C1COC1 |r|
KEGG

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Article
PubMed
270n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin) by RT-FRET assay


ACS Med Chem Lett 6: 11-2 (2015)


Article DOI: 10.1021/ml500347s
BindingDB Entry DOI: 10.7270/Q26W9CQT
More data for this
Ligand-Target Pair