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3 similar compounds to monomer 91906

Compile data set for download or QSAR
Wt: 403.2
BDBM91893
Wt: 401.2
BDBM91904
Wt: 429.3
BDBM91905

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 91893,91904,91905   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CHK1_Kinase


(Homo sapiens (Human))
BDBM91904
PNG
(Chk1_38)
Show SMILES Brc1ccc(N2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C17H17BrN6O/c18-12-4-5-15(24-6-2-1-3-7-24)14(8-12)22-17(25)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,1-3,6-7H2,(H2,21,22,23,25)
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D3R
11.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91905
PNG
(Chk1_39)
Show SMILES CCC1CCCCN1c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H21BrN6O/c1-2-15-5-3-4-8-26(15)17-7-6-13(20)9-16(17)24-19(27)25-18-12-22-14(10-21)11-23-18/h6-7,9,11-12,15H,2-5,8H2,1H3,(H2,23,24,25,27)
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D3R
3.26E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91893
PNG
(Chk1_28)
Show SMILES CCCN(CC)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H19BrN6O/c1-3-7-24(4-2)15-6-5-12(18)8-14(15)22-17(25)23-16-11-20-13(9-19)10-21-16/h5-6,8,10-11H,3-4,7H2,1-2H3,(H2,21,22,23,25)
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D3R
>1.00E+4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91905
PNG
(Chk1_39)
Show SMILES CCC1CCCCN1c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H21BrN6O/c1-2-15-5-3-4-8-26(15)17-7-6-13(20)9-16(17)24-19(27)25-18-12-22-14(10-21)11-23-18/h6-7,9,11-12,15H,2-5,8H2,1H3,(H2,23,24,25,27)
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PubMed
n/an/a 3.26E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91904
PNG
(Chk1_38)
Show SMILES Brc1ccc(N2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C17H17BrN6O/c18-12-4-5-15(24-6-2-1-3-7-24)14(8-12)22-17(25)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,1-3,6-7H2,(H2,21,22,23,25)
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n/an/a 12n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM91893
PNG
(Chk1_28)
Show SMILES CCCN(CC)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H19BrN6O/c1-3-7-24(4-2)15-6-5-12(18)8-14(15)22-17(25)23-16-11-20-13(9-19)10-21-16/h5-6,8,10-11H,3-4,7H2,1-2H3,(H2,21,22,23,25)
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair