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2 similar compounds to monomer 107756

Compile data set for download or QSAR
Wt: 435.4
BDBM107757		Wt: 477.5
BDBM50420303

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 107757,50420303   
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
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))		BDBM50420303
PNG
(CHEMBL2089064 | US8598217, 135)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)
UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 12n/an/an/an/a7.5n/a



Astex Therapeutics Ltd

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))		BDBM50420303
PNG
(CHEMBL2089064 | US8598217, 135)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)
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n/an/a>1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclin B assessed as inhibition of Tamra-H1 phosphorylation by IMAP-FP assay

ACS Med Chem Lett 3: 445-449 (2012)


Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ
More data for this
Ligand-Target Pair
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))		BDBM50420303
PNG
(CHEMBL2089064 | US8598217, 135)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)
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Article
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CDK6/cyclin D3 assessed as inhibition of pRb Ser780 phosphorylation after 120 mins by TR-FRET assay

ACS Med Chem Lett 3: 445-449 (2012)


Article DOI: 10.1021/ml200241a
BindingDB Entry DOI: 10.7270/Q2P270DJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))		BDBM107757
PNG
(US8598217, 164)
Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C25H21N7O/c33-23(25-29-20-5-6-22(30-24(20)31-25)32-11-9-26-10-12-32)16-7-8-28-21(13-16)19-15-27-14-17-3-1-2-4-18(17)19/h1-8,13-15,26H,9-12H2,(H,29,30,31)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 24n/an/an/an/a7.5n/a



Astex Therapeutics Ltd

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair