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Compile Data Set for Download or QSAR

Found 430 hits of ic50 for UniProtKB: O00311   
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
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636655
PNG
(US20230365584, Compound 76. | methyl 2-(3-oxo-1-(1...)
Show SMILES COC(=O)Cc1[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))
BDBM636656
PNG
(5-(2-hydroxy-2- methylpropyl)-1-(1H-pyrazol-4-yl)-...)
Show SMILES CC(C)(O)Cc1[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))
BDBM636657
PNG
(7-[(3-hydroxyazetidin-1- yl)methyl]-2-(1H-pyrazol-...)
Show SMILES OC1CN(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))
BDBM636658
PNG
((S)-6-((3-hydroxyazetidin-1- yl)methyl)-4-methyl-2...)
Show SMILES C[C@H]1Cc2c(CN3CC(O)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636659
PNG
((R)-6-((3-hydroxyazetidin-1- yl)methyl)-4-methyl-2...)
Show SMILES C[C@@H]1Cc2c(CN3CC(O)C3)[nH]c(=O)c3sc(-c4cn[nH]c4)c(O1)c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636660
PNG
((R)-4-methyl-6-(((R)-2- methylazetidin-1-yl)methyl...)
Show SMILES C[C@@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@H](C)Cc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636661
PNG
((R)-4-methyl-6-(((S)-2- methylazetidin-1-yl)methyl...)
Show SMILES C[C@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@H](C)Cc1c23 |r|
PDB

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More data for this
Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636662
PNG
((S)-4-methyl-6-(((S)-2- methylazetidin-1-yl)methyl...)
Show SMILES C[C@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@@H](C)Cc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636663
PNG
((S)-4-methyl-6-(((R)-2- methylazetidin-1-yl)methyl...)
Show SMILES C[C@@H]1CCN1Cc1[nH]c(=O)c2sc(-c3cn[nH]c3)c3O[C@@H](C)Cc1c23 |r|
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM636664
PNG
(5-(1-hydroxycyclopentyl)-1- (1H-pyrazol-4-yl)-4,6,...)
Show SMILES OC1(CCCC1)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))
BDBM123147
PNG
(US8742113, 239)
Show SMILES O=C1CC(OC1=Cc1c[nH]c2ncccc12)=Nc1ccc2[nH]ncc2c1 |w:6.7,16.19|
Show InChI InChI=1S/C19H13N5O2/c25-16-8-18(23-13-3-4-15-12(6-13)10-22-24-15)26-17(16)7-11-9-21-19-14(11)2-1-5-20-19/h1-7,9-10H,8H2,(H,20,21)(H,22,24)/b17-7-,23-18+
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Similars

US Patent
n/an/a 1n/an/an/an/a7.5n/a



SBI Biotech Co., Ltd.; Carna Biosciences, Inc.

US Patent


Assay Description
Measurement of kinase activity was carried out using an MSA assay kit (QuickScout Screening Assist Kit, Carna Biosciences, Inc.). Assay buffer (20 mM...


US Patent US8742113 (2014)


BindingDB Entry DOI: 10.7270/Q2B856S5
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Ligand-Target Pair
Cell division cycle 7-related protein kinase


(Homo sapiens (Human))
BDBM123148
PNG
(US8742113, 242)
Show SMILES Cc1ccsc1CN=C1CC(=O)C(O1)=Cc1c[nH]c2ncccc12 |w:14.16,7.7|
Show InChI InChI=1S/C18H15N3O2S/c1-11-4-6-24-16(11)10-20-17-8-14(22)15(23-17)7-12-9-21-18-13(12)3-2-5-19-18/h2-7,9H,8,10H2,1H3,(H,19,21)/b15-7-,20-17-
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US Patent
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SBI Biotech Co., Ltd.; Carna Biosciences, Inc.

US Patent


Assay Description
Measurement of kinase activity was carried out using an MSA assay kit (QuickScout Screening Assist Kit, Carna Biosciences, Inc.). Assay buffer (20 mM...


US Patent US8742113 (2014)


BindingDB Entry DOI: 10.7270/Q2B856S5
More data for this
Ligand-Target Pair
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
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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
PDB

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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
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))
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
PDB

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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
PDB

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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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More data for this
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
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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
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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
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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
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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
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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
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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|
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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
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