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Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with all data for entry = 11647   
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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636554
PNG
(5-methyl-1-(pyridin-4-yl)- 4,6,7,8-tetrahydro-3H-9...)
Show SMILES Cc1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636555
PNG
(6-methyl-2-(pyridin-4-yl)-5,7- dihydro-3-oxa-1-thi...)
Show SMILES Cc1[nH]c(=O)c2sc(c3OCCc1c23)-c1ccncc1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636583
PNG
(6-methyl-2-(3-methyl-1H- pyrazol-4-yl)-5,7-dihydro...)
Show SMILES Cc1n[nH]cc1-c1sc2c3c1OCCc3c(C)[nH]c2=O
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636584
PNG
(5-methyl-1-(1H-pyrazol-4-yl)- 4,6,7,8-tetrahydro-3...)
Show SMILES Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636586
PNG
((R)-4,6-dimethyl-2-(pyridin-4- yl)-5,7-dihydro-3-o...)
Show SMILES C[C@@H]1Cc2c(C)[nH]c(=O)c3sc(c(O1)c23)-c1ccncc1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636587
PNG
((S)-4,6-dimethyl-2-(pyridin-4- yl)-5,7-dihydro-3-o...)
Show SMILES C[C@H]1Cc2c(C)[nH]c(=O)c3sc(c(O1)c23)-c1ccncc1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636588
PNG
(4,6-dimethyl-2-(1H-pyrazol-4- yl)-5,7-dihydro-3-ox...)
Show SMILES CC1Cc2c(C)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636590
PNG
((S)-5-((3-hydroxypyrrolidin- 1-yl)methyl)-1-(1H-py...)
Show SMILES O[C@H]1CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636591
PNG
(5-(azetidin-1-ylmethyl)-1- (pyridin-4-yl)-4,6,7,8-...)
Show SMILES O=c1[nH]c(CN2CCC2)c2CCCOc3c(sc1c23)-c1ccncc1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636592
PNG
(5-(azetidin-1-ylmethyl)-1- (1H-pyrazol-4-yl)-4,6,7...)
Show SMILES O=c1[nH]c(CN2CCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636597
PNG
(2-(1H-pyrazol-4-yl)-7- (pyrazol-1-ylmethyl)-12-oxa...)
Show SMILES O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636598
PNG
(7-(pyrazol-1-ylmethyl)-2- pyrimidin-4-yl-12-oxa-3-...)
Show SMILES O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1ccncn1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636599
PNG
(2-(3-methyl-1H-pyrazol-4-yl)- 7-(pyrazol-1-ylmethy...)
Show SMILES Cc1n[nH]cc1-c1sc2c3c1OCCCc3c(Cn1cccn1)[nH]c2=O
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636600
PNG
(7-(pyrazol-1-ylmethyl)-2-(4- pyridyl)-12-oxa-3-thi...)
Show SMILES O=c1[nH]c(Cn2cccn2)c2CCCOc3c(sc1c23)-c1ccncc1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636601
PNG
(7-(imidazol-1-ylmethyl)-2- (1H-pyrazol-4-yl)-12-ox...)
Show SMILES O=c1[nH]c(Cn2ccnc2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636602
PNG
(5-(piperidin-1-ylmethyl)-1- (1H-pyrazol-4-yl)-4,6,...)
Show SMILES O=c1[nH]c(CN2CCCCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636603
PNG
(5-((isopropylamino)methyl)-1- (1H-pyrazol-4-yl)-4,...)
Show SMILES CC(C)NCc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636604
PNG
(7-[(3,3-difluoropyrrolidin-1- yl)methyl]-2-(1H-pyr...)
Show SMILES FC1(F)CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636605
PNG
((S)-1-(1-(3-oxo-1-(1H- pyrazol-4-yl)-4,6,7,8-tetra...)
Show SMILES C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cc(cn1)C#N |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636606
PNG
((R)-1-(1-(3-oxo-1-(1H- pyrazol-4-yl)-4,6,7,8-tetra...)
Show SMILES C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cc(cn1)C#N |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636607
PNG
(5-(2-hydroxypropan-2-yl)-1- (1H-pyrazol-4-yl)-4,6,...)
Show SMILES CC(C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636608
PNG
(5-(2-hydroxypropan-2-yl)-1- (pyridin-4-yl)-4,6,7,8...)
Show SMILES CC(C)(O)c1[nH]c(=O)c2sc(c3OCCCc1c23)-c1ccncc1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636609
PNG
((S)-5-(1-(azetidin-1-yl)ethyl)- 1-(1H-pyrazol-4-yl...)
Show SMILES C[C@H](N1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636610
PNG
((R)-5-(1-(azetidin-1-yl)ethyl)- 1-(1H-pyrazol-4-yl...)
Show SMILES C[C@@H](N1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636611
PNG
((S)-5-(1-hydroxyethyl)-1-(1H- pyrazol-4-yl)-4,6,7,...)
Show SMILES C[C@H](O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636612
PNG
((R)-5-(1-hydroxyethyl)-1-(1H- pyrazol-4-yl)-4,6,7,...)
Show SMILES C[C@@H](O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636613
PNG
(5-(1-(cyclobutylamino)ethyl)- 1-(1H-pyrazol-4-yl)-...)
Show SMILES CC(NC1CCC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636614
PNG
((S)-5-(2-methoxy-1-(1H- pyrazol-1-yl)ethyl)-1-(1H-...)
Show SMILES COC[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636615
PNG
((R)-5-(2-methoxy-1-(1H- pyrazol-1-yl)ethyl)-1-(1H-...)
Show SMILES COC[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636618
PNG
((S)-5-(1,2-dimethoxyethyl)-1- (1H-pyrazol-4-yl)-4,...)
Show SMILES COC[C@@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636619
PNG
((S)-5-(1,2-dimethoxyethyl)-1- (1H-pyrazol-4-yl)-4,...)
Show SMILES COC[C@H](OC)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636620
PNG
(5-((2-oxopyrrolidin-1- yl)methyl)-1-(1H-pyrazol-4-...)
Show SMILES O=C1CCCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636604
PNG
(7-[(3,3-difluoropyrrolidin-1- yl)methyl]-2-(1H-pyr...)
Show SMILES FC1(F)CCN(Cc2[nH]c(=O)c3sc(-c4cn[nH]c4)c4OCCCc2c34)C1
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636622
PNG
(10,10-difluoro-7-methyl-2- (1H-pyrazol-4-yl)-12-ox...)
Show SMILES Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636623
PNG
(7-(azetidin-1-ylmethyl)- 10,10-difluoro-2-(1H-pyra...)
Show SMILES FC1(F)COc2c(sc3c2c(C1)c(CN1CCC1)[nH]c3=O)-c1cn[nH]c1
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636624
PNG
(10,10-difluoro-7-(1-hydroxy- 1-methyl-ethyl)-2-(1H...)
Show SMILES CC(C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCC(F)(F)Cc1c23
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636625
PNG
((R)-2-(1H-pyrazol-4-yl)-7-(1- pyrazol-1-ylethyl)-1...)
Show SMILES C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
PDB

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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636626
PNG
((S)-2-(1H-pyrazol-4-yl)-7-(1- pyrazol-1-ylethyl)-1...)
Show SMILES C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1cccn1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636627
PNG
(2-(1H-pyrazol-4-yl)-7-[1- (triazol-2-yl)ethyl]-12-...)
Show SMILES CC(c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1nccn1
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636628
PNG
((R)-5-(-(1H-1,2,3-triazol-1- yl)ethyl)-1-(1H-pyraz...)
Show SMILES C[C@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636629
PNG
((S)-5-(1-(1H-1,2,3-triazol-1- yl)ethyl)-1-(1H-pyra...)
Show SMILES C[C@@H](c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23)n1ccnn1 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636633
PNG
(7-amino-2-(1H-pyrazol-4-yl)- 12-oxa-3-thia-6- azat...)
Show SMILES Nc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636634
PNG
(5-(cyclobutoxymethyl)-1-(1H- pyrazol-4-yl)-4,6,7,8...)
Show SMILES O=c1[nH]c(COC2CCC2)c2CCCOc3c(sc1c23)-c1cn[nH]c1
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636635
PNG
(N-methyl-N-(3-oxo-1-(1H- pyrazol-4-yl)-4,6,7,8-tet...)
Show SMILES CN(C(C)=O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636636
PNG
((S)-5-(2-hydroxybutan-2-yl)- 1-(1H-pyrazol-4-yl)-4...)
Show SMILES CC[C@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636637
PNG
((R)-5-(2-hydroxybutan-2-yl)- 1-(1H-pyrazol-4-yl)-4...)
Show SMILES CC[C@@](C)(O)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636638
PNG
((S)-5-(1-cyclopropyl-1- hydroxyethyl)-1-(1H-pyrazo...)
Show SMILES C[C@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636639
PNG
((R)-5-(1-cyclopropyl-1- hydroxyethyl)-1-(1H-pyrazo...)
Show SMILES C[C@@](O)(C1CC1)c1[nH]c(=O)c2sc(-c3cn[nH]c3)c3OCCCc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636640
PNG
((S)-6-(2-hydroxypropan-2-yl)- 4-methyl-2-(1H-pyraz...)
Show SMILES C[C@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636641
PNG
((R)-6-(2-hydroxypropan-2-yl)- 4-methyl-2-(1H-pyraz...)
Show SMILES C[C@@H]1Cc2c([nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23)C(C)(C)O |r|
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Ligand-Target Pair
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