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BDBM154577 K03859 (2)

SMILES: CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1

InChI Key: InChIKey=MZZJNOOADWVFPD-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 154577   
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 2


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 (CDK2 F80T)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

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PC sid
UniChem
Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 (CDK2 F80M)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 (CDK2 C118I)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 variant (CDK2 A144C)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 (CDK2 A144G)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair
Cyclin-dependent protein kinase 2 variant (CDK2 C118L)


(Homo sapiens (Human))
BDBM154577
PNG
(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
PDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a303.15



University of Oxford



Assay Description
For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...


ACS Chem Biol 10: 2116-25 (2015)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2VH5MKH
More data for this
Ligand-Target Pair