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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 2'   
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
Chromobox protein homolog 2


(Homo sapiens (Human))
BDBM50155931
PNG
(CHEMBL3780251)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:5.5,26.28,50.53,wD:1.0,38.41,56.59,65.68,(13.64,33.73,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1/C72H82BrN11O17S/c1-40(76-68(96)56(34-41-12-6-5-7-13-41)82-65(93)43-18-20-44(73)21-19-43)64(92)81-57(35-42-16-23-46(86)24-17-42)69(97)79-54(15-9-11-33-84(2,3)4)66(94)83-58(39-85)70(98)80-55(30-31-61(89)90)67(95)78-53(63(74)91)14-8-10-32-75-72(102)77-45-22-27-49(52(36-45)71(99)100)62-50-28-25-47(87)37-59(50)101-60-38-48(88)26-29-51(60)62/h5-7,12-13,16-29,36-38,40,53-58,85H,8-11,14-15,30-35,39H2,1-4H3,(H14-,74,75,76,77,78,79,80,81,82,83,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,102)/p+1/t40-,53-,54-,55-,56-,57-,58-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 300n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...


ACS Med Chem Lett 7: 139-44 (2016)


BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 2


(Homo sapiens (Human))
BDBM50194259
PNG
(CHEMBL3939958)
Show SMILES CCN(CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N[C@@H](CO)C(=O)OC |r|
Show InChI InChI=1/C43H66N6O8/c1-10-49(11-2)24-16-15-19-33(39(53)48-36(27-50)42(56)57-9)45-41(55)34(25-28(3)4)46-37(51)29(5)44-40(54)35(26-30-17-13-12-14-18-30)47-38(52)31-20-22-32(23-21-31)43(6,7)8/h12-14,17-18,20-23,28-29,33-36,50H,10-11,15-16,19,24-27H2,1-9H3,(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)/t29-,33-,34-,35-,36-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.80E+3n/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to human N-terminal his-tagged CBX2 chromodomain (9 to 66 residues) expressed in Escherichia coli Rosetta BL21(DE3)pLysS by ITC meth...


J Med Chem 59: 8913-8923 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00801
BindingDB Entry DOI: 10.7270/Q2H1340D
More data for this
Ligand-Target Pair
Chromobox protein homolog 2


(Homo sapiens (Human))
BDBM50155893
PNG
(CHEMBL3780712)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:6.6,27.29,51.54,wD:2.1,39.42,57.60,66.69,(12.31,33.27,;13.38,33.88,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1/C73H84BrN11O17S/c1-5-53(78-69(97)57(35-41-13-7-6-8-14-41)82-65(93)43-19-21-44(74)22-20-43)66(94)83-58(36-42-17-24-46(87)25-18-42)70(98)80-55(16-10-12-34-85(2,3)4)67(95)84-59(40-86)71(99)81-56(31-32-62(90)91)68(96)79-54(64(75)92)15-9-11-33-76-73(103)77-45-23-28-49(52(37-45)72(100)101)63-50-29-26-47(88)38-60(50)102-61-39-48(89)27-30-51(61)63/h6-8,13-14,17-30,37-39,53-59,86H,5,9-12,15-16,31-36,40H2,1-4H3,(H14-,75,76,77,78,79,80,81,82,83,84,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,103)/p+1/t53-,54-,55-,56-,57-,58-,59-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...


ACS Med Chem Lett 7: 139-44 (2016)


BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 2


(Homo sapiens (Human))
BDBM50155932
PNG
(CHEMBL3780489)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O |r,wU:7.7,28.30,52.55,wD:3.2,40.43,58.61,67.70,(12.31,33.27,;13.38,33.88,;13.37,35.11,;14.71,33.11,;16.05,33.88,;16.05,35.42,;14.98,36.04,;17.38,36.19,;18.71,35.42,;18.71,33.88,;20.04,33.1,;20.03,31.56,;18.7,30.8,;17.37,31.57,;17.37,33.11,;17.38,37.73,;18.72,38.5,;19.79,37.89,;18.72,40.04,;20.05,40.82,;20.05,42.36,;18.72,43.12,;18.72,44.36,;17.39,42.35,;17.39,40.81,;14.71,31.57,;15.77,30.96,;13.37,30.8,;13.37,29.26,;14.7,28.49,;14.7,26.95,;16.03,26.17,;16.02,24.63,;14.69,23.87,;14.68,22.64,;13.36,24.64,;13.36,26.18,;12.04,28.49,;10.97,29.11,;12.03,26.95,;10.7,26.18,;9.36,26.95,;8.03,26.18,;6.7,26.95,;5.36,26.18,;4.03,26.95,;2.96,26.33,;2.96,27.56,;4.03,28.18,;10.7,24.64,;11.76,24.03,;9.36,23.87,;9.36,22.33,;10.69,21.56,;10.69,20.33,;8.03,21.56,;6.96,22.18,;8.02,20.02,;6.69,19.25,;5.35,20.02,;4.02,19.25,;2.68,20.02,;2.68,21.25,;1.62,19.4,;6.69,17.71,;7.75,17.09,;5.35,16.94,;5.35,15.4,;4.02,14.63,;4.01,13.09,;2.68,12.32,;2.68,10.78,;1.34,10.01,;1.34,8.47,;2.41,7.85,;0,7.7,;0,6.16,;-1.33,5.39,;-1.33,3.85,;0,3.08,;1.34,3.85,;1.34,5.39,;2.67,3.09,;2.68,2.06,;3.74,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.07,-1.39,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4,.77,;2.67,1.54,;1.31,.77,;6.68,14.63,;7.75,15.24,;6.68,13.4,)|
Show InChI InChI=1/C74H86BrN11O17S/c1-41(2)64(85-70(98)58(35-42-13-7-6-8-14-42)82-66(94)44-19-21-45(75)22-20-44)72(100)83-57(36-43-17-24-47(88)25-18-43)69(97)80-55(16-10-12-34-86(3,4)5)67(95)84-59(40-87)71(99)81-56(31-32-62(91)92)68(96)79-54(65(76)93)15-9-11-33-77-74(104)78-46-23-28-50(53(37-46)73(101)102)63-51-29-26-48(89)38-60(51)103-61-39-49(90)27-30-52(61)63/h6-8,13-14,17-30,37-39,41,54-59,64,87H,9-12,15-16,31-36,40H2,1-5H3,(H14-,76,77,78,79,80,81,82,83,84,85,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,104)/p+1/t54-,55-,56-,57-,58-,59-,64-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.76E+4n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX2 (8 to 62) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive binding probe ...


ACS Med Chem Lett 7: 139-44 (2016)


BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair