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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'dunbar' and Initial = 'dc'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Nat Prod 64: 1322-5 (2001)


BindingDB Entry DOI: 10.7270/Q2C24W57
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1 |r|
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human HeLa cells by luciferase reporter gene assay


J Nat Prod 68: 947-50 (2005)


Article DOI: 10.1021/np050029m
BindingDB Entry DOI: 10.7270/Q23J3GRV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50216297
PNG
(6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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n/an/a 83n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human HeLa cells by luciferase reporter gene assay


J Nat Prod 68: 947-50 (2005)


Article DOI: 10.1021/np050029m
BindingDB Entry DOI: 10.7270/Q23J3GRV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50216297
PNG
(6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay


J Nat Prod 68: 947-50 (2005)


Article DOI: 10.1021/np050029m
BindingDB Entry DOI: 10.7270/Q23J3GRV
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478867
PNG
(CHEBI:66147 | Klugine)
Show SMILES [H][C@@]12C[C@H](C[C@@]3(O)NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(O)c(OC)cc21 |r|
Show InChI InChI=1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3/t16-,19+,22-,27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay


J Nat Prod 68: 947-50 (2005)


Article DOI: 10.1021/np050029m
BindingDB Entry DOI: 10.7270/Q23J3GRV
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50478403
PNG
(CHEBI:23527 | CYTOCHALASIN B)
Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29|
Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1
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n/an/a 521n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluoresc...


J Nat Prod 64: 559-62 (2001)


Article DOI: 10.1021/np000436s
BindingDB Entry DOI: 10.7270/Q26D5WSK
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))
BDBM50478866
PNG
(Isocephaeline)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2cc(O)c(OC)cc12 |r|
Show InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23-,24-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs by luciferase reporter gene assay


J Nat Prod 68: 947-50 (2005)


Article DOI: 10.1021/np050029m
BindingDB Entry DOI: 10.7270/Q23J3GRV
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))
BDBM50478403
PNG
(CHEBI:23527 | CYTOCHALASIN B)
Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29|
Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis


J Nat Prod 66: 962-7 (2003)


Article DOI: 10.1021/np030086k
BindingDB Entry DOI: 10.7270/Q2M61P1C
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))
BDBM50478475
PNG
(CHEBI:3533 | Cephaeline)
Show SMILES [H][C@@]12C[C@H](C[C@H]3NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc21
Show InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
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n/an/a>2.14E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis


J Nat Prod 66: 962-7 (2003)


Article DOI: 10.1021/np030086k
BindingDB Entry DOI: 10.7270/Q2M61P1C
More data for this
Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1


(Homo sapiens (Human))
BDBM50478733
PNG
(CHEBI:67606 | Sampangine)
Show SMILES O=C1c2ccccc2-c2nccc3ccnc1c23
Show InChI InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H
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n/an/a>4.30E+4n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of LFA1/ICAM1-mediated CFSE-labeled TPA-stimulated human HL60 cell adhesion to ICAM1 expressing human HeLa cells after 45 mins by fluoresc...


J Nat Prod 64: 559-62 (2001)


Article DOI: 10.1021/np000436s
BindingDB Entry DOI: 10.7270/Q26D5WSK
More data for this
Ligand-Target Pair
Integrin alpha-L


(Homo sapiens (Human))
BDBM50216297
PNG
(6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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n/an/a>1.04E+5n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis


J Nat Prod 66: 962-7 (2003)


Article DOI: 10.1021/np030086k
BindingDB Entry DOI: 10.7270/Q2M61P1C
More data for this
Ligand-Target Pair