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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Chromobox protein homolog 6'   
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 6


(Homo sapiens)
BDBM50157395
PNG
(CHEMBL3780663)
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(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O
Show InChI InChI=1S/C61H85BrN12O14S/c1-36(65-58(85)45(32-37-14-6-5-7-15-37)70-55(82)39-22-24-40(62)25-23-39)54(81)69-46(33-38-20-26-41(76)27-21-38)59(86)67-43(17-11-13-31-74(2,3)4)56(83)71-47(34-75)60(87)68-44(28-29-51(78)79)57(84)66-42(53(63)80)16-10-12-30-64-50(77)19-9-8-18-49-52-48(35-89-49)72-61(88)73-52/h5-7,14-15,20-27,36,42-49,52,75H,8-13,16-19,28-35H2,1-4H3,(H13-,63,64,65,66,67,68,69,70,71,72,73,76,77,78,79,80,81,82,83,84,85,86,87,88)/p+1/t36-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 110n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay


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


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens)
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
Show InChI InChI=1S/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-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
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 CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay


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


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens)
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
Show InChI InChI=1S/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-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 610n/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 CBX6 chromodomain (8 to 65 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 6


(Homo sapiens)
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
Show InChI InChI=1S/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-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 800n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay


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


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens)
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
Show InChI InChI=1S/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-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 900n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 using FITC-peptide-3 as competitive bindi...


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


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair
Chromobox protein homolog 6


(Homo sapiens)
BDBM50157400
PNG
(CHEMBL3781600)
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(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O
Show InChI InChI=1S/C63H89BrN12O14S/c1-37(2)53(74-60(87)47(33-38-15-7-6-8-16-38)70-56(83)40-23-25-41(64)26-24-40)62(89)71-46(34-39-21-27-42(78)28-22-39)59(86)68-44(18-12-14-32-76(3,4)5)57(84)72-48(35-77)61(88)69-45(29-30-52(80)81)58(85)67-43(55(65)82)17-11-13-31-66-51(79)20-10-9-19-50-54-49(36-91-50)73-63(90)75-54/h6-8,15-16,21-28,37,43-50,53-54,77H,9-14,17-20,29-36H2,1-5H3,(H13-,65,66,67,68,69,70,71,72,73,74,75,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+1/t43-,44-,45-,46-,47-,48-,49-,50-,53-,54-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 910n/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human CBX6 (8 to 65 residues) expressed in Escherichia coli BL21 by surface plasmon resonance assay


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


Article DOI: 10.1021/acsmedchemlett.5b00378
BindingDB Entry DOI: 10.7270/Q2222WNZ
More data for this
Ligand-Target Pair