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8 similar compounds to monomer 50440159

Wt: 421.5
BDBM50440145
Wt: 407.4
BDBM50440146
Wt: 407.4
BDBM50440147
Wt: 408.4
BDBM50440156
Wt: 422.5
BDBM50440157
Wt: 392.4
BDBM50440158
Wt: 408.4
BDBM50440160
Wt: 408.4
BDBM50440161

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50440145,50440146,50440147,50440156,50440157,50440158,50440160,50440161   
Target
(Institution)
LigandTarget
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
Deoxycytidine kinase


(Homo sapiens)
BDBM50440145
PNG
(CHEMBL2426583)
Show SMILES CCOc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C18H20FN5O2S2/c1-2-25-13-4-3-11(7-14(13)26-6-5-19)17-22-12(9-27-17)10-28-18-23-15(20)8-16(21)24-18/h3-4,7-9H,2,5-6,10H2,1H3,(H4,20,21,23,24)
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n/an/a 251n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440161
PNG
(CHEMBL2426592)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-6-9(2-3-11(12)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 534n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440147
PNG
(CHEMBL2426581)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-13-6-10(2-3-12(13)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 421n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440156
PNG
(CHEMBL2426597)
Show SMILES COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-3-2-10(25-5-4-17)6-11(12)13-20-9(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 2.65E+3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440157
PNG
(CHEMBL2426596)
Show SMILES COc1ccc(cc1OCCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C17H19FN6O2S2/c1-25-12-4-3-10(7-13(12)26-6-2-5-18)14-21-11(8-27-14)9-28-17-23-15(19)22-16(20)24-17/h3-4,7-8H,2,5-6,9H2,1H3,(H4,19,20,22,23,24)
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n/an/a 603n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440158
PNG
(CHEMBL2426595)
Show SMILES Cc1ccc(cc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6OS2/c1-9-2-3-10(6-12(9)24-5-4-17)13-20-11(7-25-13)8-26-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440160
PNG
(CHEMBL2426593)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-11-3-2-9(6-12(11)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 528n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440161
PNG
(CHEMBL2426592)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-6-9(2-3-11(12)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 1.61E+3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440145
PNG
(CHEMBL2426583)
Show SMILES CCOc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C18H20FN5O2S2/c1-2-25-13-4-3-11(7-14(13)26-6-5-19)17-22-12(9-27-17)10-28-18-23-15(20)8-16(21)24-18/h3-4,7-9H,2,5-6,10H2,1H3,(H4,20,21,23,24)
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n/an/a 513n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440146
PNG
(CHEMBL2426582)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 538n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Mus musculus)
BDBM50440147
PNG
(CHEMBL2426581)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-13-6-10(2-3-12(13)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 808n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440156
PNG
(CHEMBL2426597)
Show SMILES COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-12-3-2-10(25-5-4-17)6-11(12)13-20-9(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 849n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440157
PNG
(CHEMBL2426596)
Show SMILES COc1ccc(cc1OCCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C17H19FN6O2S2/c1-25-12-4-3-10(7-13(12)26-6-2-5-18)14-21-11(8-27-14)9-28-17-23-15(19)22-16(20)24-17/h3-4,7-8H,2,5-6,9H2,1H3,(H4,19,20,22,23,24)
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n/an/a 297n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440158
PNG
(CHEMBL2426595)
Show SMILES Cc1ccc(cc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6OS2/c1-9-2-3-10(6-12(9)24-5-4-17)13-20-11(7-25-13)8-26-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 1.92E+3n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440160
PNG
(CHEMBL2426593)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)nc(N)n2)cs1
Show InChI InChI=1S/C16H17FN6O2S2/c1-24-11-3-2-9(6-12(11)25-5-4-17)13-20-10(7-26-13)8-27-16-22-14(18)21-15(19)23-16/h2-3,6-7H,4-5,8H2,1H3,(H4,18,19,21,22,23)
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n/an/a 506n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440146
PNG
(CHEMBL2426582)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 230n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)