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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Cell cycle checkpoint protein RAD1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM48804
PNG
(3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...)
Show SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
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PubMed
n/an/an/an/a 2.70E+4n/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RAD1 (unknown origin) binding to ssDNA


Citation and Details
More data for this
Ligand-Target Pair
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM48804
PNG
(3-(phenylmethyl)-2-[(E)-2-(3-pyridinyl)ethenyl]-4-...)
Show SMILES O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
Show InChI InChI=1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
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PubMed
n/an/an/a 5.60E+3n/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method


Citation and Details
More data for this
Ligand-Target Pair
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM39120
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-morpholin-4-y...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RAD1 (unknown origin) binding to ssDNA


Citation and Details
More data for this
Ligand-Target Pair
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM50044628
PNG
(CHEBI:4286 | CHEMBL1162148)
Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S
Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RAD1 (unknown origin) binding to ssDNA


Citation and Details
More data for this
Ligand-Target Pair
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM50044628
PNG
(CHEBI:4286 | CHEMBL1162148)
Show SMILES OS(=O)(=O)c1cc(ccc1\C=C\c1ccc(cc1S(O)(=O)=O)N=C=S)N=C=S
Show InChI InChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
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PubMed
n/an/an/a 2.00E+3n/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RAD1 (unknown origin) by surface plasmon resonance method


Citation and Details
More data for this
Ligand-Target Pair
Cell cycle checkpoint protein RAD1


(Homo sapiens)
BDBM50424495
PNG
(CHEMBL2316726)
Show SMILES COc1ccc(cc1)C1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H18Cl2N2O4/c1-28-15-5-2-13(3-6-15)18-19(24-8-10-29-11-9-24)21(27)25(20(18)26)14-4-7-16(22)17(23)12-14/h2-7,12H,8-11H2,1H3
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PubMed
n/an/an/an/a 4.40E+4n/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of RAD1 (unknown origin) binding to ssDNA


Citation and Details
More data for this
Ligand-Target Pair