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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Cdc2-related kinase'   
Target
(Institution)
LigandTarget
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
Cdc2-related kinase


(Leishmania major)
BDBM50397589
PNG
(CHEMBL2171517)
Show SMILES Cc1cc(C)cc(c1)-c1ccc2nc(NC(=O)C3CCCCCC3)n(C)c2c1
Show InChI InChI=1S/C24H29N3O/c1-16-12-17(2)14-20(13-16)19-10-11-21-22(15-19)27(3)24(25-21)26-23(28)18-8-6-4-5-7-9-18/h10-15,18H,4-9H2,1-3H3,(H,25,26,28)
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n/an/a 5n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
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Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397590
PNG
(CHEMBL2171516)
Show SMILES Cc1cc(C)cc(c1)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
Show InChI InChI=1S/C21H24N4O/c1-14-10-15(2)12-18(11-14)17-8-9-19-22-21(24-25(19)13-17)23-20(26)16-6-4-3-5-7-16/h8-13,16H,3-7H2,1-2H3,(H,23,24,26)
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n/an/a 20n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397588
PNG
(CHEMBL2171518)
Show SMILES Cc1cccc(c1)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
Show InChI InChI=1S/C20H22N4O/c1-14-6-5-9-16(12-14)17-10-11-18-21-20(23-24(18)13-17)22-19(25)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,22,23,25)
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n/an/a 60n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397592
PNG
(CHEMBL2171514)
Show SMILES COc1cc(ccc1O)-c1ccc2nc(NC(=O)C3CCCCC3)nn2c1
Show InChI InChI=1S/C20H22N4O3/c1-27-17-11-14(7-9-16(17)25)15-8-10-18-21-20(23-24(18)12-15)22-19(26)13-5-3-2-4-6-13/h7-13,25H,2-6H2,1H3,(H,22,23,26)
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n/an/a 240n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397593
PNG
(CHEMBL2171513)
Show SMILES CC(=O)c1cccc(c1)-c1cnn2ccc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C24H23N5O2/c1-17(30)18-3-2-4-19(15-18)22-16-25-29-10-9-23(27-24(22)29)26-20-5-7-21(8-6-20)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,27)
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n/an/a 260n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397591
PNG
(CHEMBL2171515)
Show SMILES CCN(Cc1ccc(\C=C2/C(=O)Nc3ccccc23)o1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N2O4S/c1-3-19(24(2,21)22)11-13-9-8-12(23-13)10-15-14-6-4-5-7-16(14)18-17(15)20/h4-10H,3,11H2,1-2H3,(H,18,20)/b15-10-
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n/an/a 510n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM47658
PNG
(1-(4-methylphenyl)-3-(2-pyridin-3-ylpyrimidin-4-yl...)
Show SMILES Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5O/c1-12-4-6-14(7-5-12)20-17(23)22-15-8-10-19-16(21-15)13-3-2-9-18-11-13/h2-11H,1H3,(H2,19,20,21,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM50397595
PNG
(CHEMBL2171512)
Show SMILES COc1ccc(cc1)-n1nnc2c(nc(CC3CCCCC3)nc12)N1CCCC(O)C1
Show InChI InChI=1S/C23H30N6O2/c1-31-19-11-9-17(10-12-19)29-23-21(26-27-29)22(28-13-5-8-18(30)15-28)24-20(25-23)14-16-6-3-2-4-7-16/h9-12,16,18,30H,2-8,13-15H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
Cdc2-related kinase


(Leishmania major)
BDBM78336
PNG
((6E)-6-[4-(3-pyridinylmethylamino)-1H-quinazolin-2...)
Show SMILES Oc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4O/c25-18-10-4-2-8-16(18)20-23-17-9-3-1-7-15(17)19(24-20)22-13-14-6-5-11-21-12-14/h1-12,25H,13H2,(H,22,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) using 5FAM-GGGRSPGRRRRK-OH as substrate after 60 mins by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair