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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50205477   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 1.85E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 2.41E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human H460a cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 3.34E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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Article
PubMed
n/an/a 6.58E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair