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PubMed code 7608907

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Albumin


(Homo sapiens (Human))		BDBM50031640
PNG
(1,6,7,1',6',7'-Hexahydroxy-5,5'-diisopropyl-3,3'-d...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(O)=O)c2c1O |(15.33,-8.22,;16.66,-7.45,;18.01,-8.22,;16.66,-5.91,;18,-5.13,;19.34,-5.91,;17.98,-3.57,;19.32,-2.8,;16.65,-2.82,;16.63,-1.28,;15.3,-.52,;17.96,-.49,;15.31,-3.6,;13.99,-2.83,;14,-1.29,;12.65,-3.6,;12.65,-5.14,;11.32,-5.91,;13.99,-5.91,;15.31,-5.14,;7.49,-3.66,;7.49,-5.21,;8.83,-5.98,;6.16,-5.98,;4.82,-5.21,;3.48,-6,;3.5,-7.54,;4.82,-8.31,;2.16,-8.31,;2.16,-5.23,;.81,-6,;2.16,-3.69,;.81,-2.9,;3.48,-2.9,;3.48,-1.36,;4.81,-.59,;2.13,-.61,;4.82,-3.67,;6.14,-2.9,;6.14,-1.36,)|
Show InChI InChI=1S/C30H30O10/c1-9(2)15-13-7-11(5)17(23(31)19(13)21(29(37)38)27(35)25(15)33)18-12(6)8-14-16(10(3)4)26(34)28(36)22(30(39)40)20(14)24(18)32/h7-10,31-36H,1-6H3,(H,37,38)(H,39,40)
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n/an/an/a 90n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		BDBM50031639
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2cc(c(C)cc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C30H30O8/c1-11(2)21-17-7-13(5)15(9-19(17)23(29(35)36)27(33)25(21)31)16-10-20-18(8-14(16)6)22(12(3)4)26(32)28(34)24(20)30(37)38/h7-12,31-34H,1-6H3,(H,35,36)(H,37,38)
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n/an/an/a 1.50E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		BDBM50031638
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O4/c1-7(2)11-10-6-8(3)4-5-9(10)12(15(18)19)14(17)13(11)16/h4-7,16-17H,1-3H3,(H,18,19)
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n/an/an/a 5.28E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		BDBM50031637
PNG
(8,8'-Bis-(1-imino-ethyl)-5,5'-diisopropyl-3,3'-dim...)
Show SMILES CC(C)c1c(O)c(O)c(C(C)=N)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C(C)=N)c2c1O |(13.39,-9.47,;14.7,-8.7,;16.05,-9.47,;14.7,-7.16,;16.05,-6.39,;17.4,-7.16,;16.02,-4.84,;17.36,-4.07,;14.7,-4.08,;14.67,-2.54,;13.35,-1.78,;16.02,-1.76,;13.35,-4.85,;12.04,-4.08,;12.04,-2.54,;10.69,-4.88,;10.69,-6.42,;9.38,-7.19,;12.04,-7.19,;13.35,-6.39,;5.53,-4.92,;5.53,-6.46,;6.88,-7.23,;4.21,-7.25,;2.87,-6.48,;1.52,-7.26,;1.55,-8.8,;2.87,-9.57,;.2,-9.57,;.2,-6.49,;-1.14,-7.26,;.2,-4.94,;-1.14,-4.17,;1.52,-4.17,;1.52,-2.63,;2.87,-1.86,;.17,-1.87,;2.87,-4.94,;4.18,-4.15,;4.18,-2.61,)|
Show InChI InChI=1S/C32H36N2O6/c1-11(2)19-17-9-13(5)21(27(35)25(17)23(15(7)33)31(39)29(19)37)22-14(6)10-18-20(12(3)4)30(38)32(40)24(16(8)34)26(18)28(22)36/h9-12,33-40H,1-8H3
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n/an/an/a 3.00E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		BDBM50031641
PNG
(6,7,6',7'-Tetrahydroxy-5,5'-diisopropyl-3,3'-dimet...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2cc(c(C)cc12)-c1cc2c(C=O)c(O)c(O)c(C(C)C)c2cc1C
Show InChI InChI=1S/C30H30O6/c1-13(2)25-21-7-15(5)17(9-19(21)23(11-31)27(33)29(25)35)18-10-20-22(8-16(18)6)26(14(3)4)30(36)28(34)24(20)12-32/h7-14,33-36H,1-6H3
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))		BDBM50031636
PNG
(2,3-Dihydroxy-4-isopropyl-6-methyl-naphthalene-1-c...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2ccc(C)cc12
Show InChI InChI=1S/C15H16O3/c1-8(2)13-11-6-9(3)4-5-10(11)12(7-16)14(17)15(13)18/h4-8,17-18H,1-3H3
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n/an/an/a 660n/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
Compound was tested for binding activity to human serum albumin (HSA)

J Med Chem 38: 2427-32 (1995)


BindingDB Entry DOI: 10.7270/Q2833R28
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%