BDBM36127 6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD)::6-NH2-beta-cyclodextrin::mono(6-amino-6-deoxy)-beta-cyclodextrin

SMILES [NH3+]C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI Key InChIKey=OZBFLQITCMCIOY-FOUAGVGXSA-O

Data  74 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 74 hits for monomerid = 36127   

HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36083((R)-hexahydromandelic acid)
ITC DataΔG°: -4.58kcal/mole −TΔS°: -2.13kcal/mole ΔH°: -2.46kcal/mole logk: 2.29E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36084((S)-hexahydromandelic acid)
ITC DataΔG°: -4.33kcal/mole −TΔS°: -2.56kcal/mole ΔH°: -1.77kcal/mole logk: 1.49E+3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM50129068((2R)-hydroxy(phenyl)acetate | (R)-2-Hydroxy-2-phen...)
ITC DataΔG°: -2.37kcal/mole −TΔS°: -0.762kcal/mole ΔH°: -1.61kcal/mole logk: 55
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM50129063((2S)-hydroxy(phenyl)acetate | (S)-mandelate | (S)-...)
ITC DataΔG°: -2.25kcal/mole −TΔS°: -1.08kcal/mole ΔH°: -1.17kcal/mole logk: 44
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36089((R)-alpha-methoxyphenylacetic acid)
ITC DataΔG°: -2.08kcal/mole −TΔS°: -1.17kcal/mole ΔH°: -0.908kcal/mole logk: 33
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36090((S)-alpha-methoxyphenylacetic acid)
ITC DataΔG°: -1.48kcal/mole −TΔS°: -0.648kcal/mole ΔH°: -0.836kcal/mole logk: 12
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36051(N-t-Boc-D-alanine methyl ester)
ITC DataΔG°: -3.54kcal/mole −TΔS°: -0.263kcal/mole ΔH°: -3.28kcal/mole logk: 395
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36052(N-t-Boc-L-alanine methyl ester)
ITC DataΔG°: -3.47kcal/mole −TΔS°: -0.385kcal/mole ΔH°: -3.09kcal/mole logk: 351
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36057((R)-3-bromo-2-methyl-1-propanol)
ITC DataΔG°: -2.81kcal/mole −TΔS°: -0.790kcal/mole ΔH°: -2.03kcal/mole logk: 116
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36036(N-acetyl-L-tryptophan)
ITC DataΔG°: -1.93kcal/mole −TΔS°: 2.31kcal/mole ΔH°: -4.25kcal/mole logk: 26.2
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36037(N-acetyl-D-tyrosine)
ITC DataΔG°: -2.80kcal/mole −TΔS°: 0.164kcal/mole ΔH°: -2.96kcal/mole logk: 114
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36035(N-acetyl-D-tryptophan)
ITC DataΔG°: -1.62kcal/mole −TΔS°: 3.35kcal/mole ΔH°: -4.97kcal/mole logk: 15.5
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36038(N-acetyl-L-tyrosine)
ITC DataΔG°: -2.90kcal/mole −TΔS°: 0.712kcal/mole ΔH°: -3.61kcal/mole logk: 134
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36061((R)-camphanic acid)
ITC DataΔG°: -3.05kcal/mole −TΔS°: 0.883kcal/mole ΔH°: -3.94kcal/mole logk: 173
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36062((S)-camphanic acid)
ITC DataΔG°: -3.15kcal/mole −TΔS°: 0.762kcal/mole ΔH°: -3.92kcal/mole logk: 205
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36067((R)-10-camphorsulfonic acid)
ITC DataΔG°: -3.94kcal/mole −TΔS°: 1.74kcal/mole ΔH°: -5.68kcal/mole logk: 781
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36068((S)-10-camphorsulfonic acid)
ITC DataΔG°: -3.99kcal/mole −TΔS°: 1.89kcal/mole ΔH°: -5.88kcal/mole logk: 840
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36128(3-(2-Hydroxyphenyl)propionate | 3-(2-hydroxyphenyl...)
ITC DataΔG°: -2.92kcal/mole −TΔS°: 0.427kcal/mole ΔH°: -3.35kcal/mole logk: 138
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36129(3-(4-Hydroxyphenyl)propionate | 3-(4-hydroxyphenyl...)
ITC DataΔG°: -3.60kcal/mole −TΔS°: -0.598kcal/mole ΔH°: -3.00kcal/mole logk: 436
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36091((R)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -3.75kcal/mole −TΔS°: 0.812kcal/mole ΔH°: -4.56kcal/mole logk: 560
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36092((S)-alpha-methoxy-alpha-trifluoromethyl phenylacet...)
ITC DataΔG°: -3.51kcal/mole −TΔS°: 0.356kcal/mole ΔH°: -3.87kcal/mole logk: 375
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36130(CHEMBL181124 | sodium hexafluorophosphate)
ITC DataΔG°: -2.95kcal/mole −TΔS°: 2.05kcal/mole ΔH°: -4.99kcal/mole logk: 145
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36131(perchlorate | sodium perchlorate)
ITC DataΔG°: -1.96kcal/mole −TΔS°: 2.29kcal/mole ΔH°: -4.25kcal/mole logk: 27.3
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM26983(CHEMBL1644028 | SCN(-1) | Thiocyanate | cyanosulfa...)
ITC DataΔG°: -1.36kcal/mole −TΔS°: 2.63kcal/mole ΔH°: -3.94kcal/mole logk: 10
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36133(3-methylphenylacetate | 3-tolylacetic acid)
ITC DataΔG°: -2.36kcal/mole −TΔS°: -0.491kcal/mole ΔH°: -1.87kcal/mole logk: 54
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36134(4-methylphenylacetate | 4-tolylacetic acid)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -0.427kcal/mole ΔH°: -2.64kcal/mole logk: 181
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36033(N-acetyl-D-phenylalanine)
ITC DataΔG°: -2.41kcal/mole −TΔS°: -0.833kcal/mole ΔH°: -1.58kcal/mole logk: 58
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36034(N-acetyl-L-phenylalanine | N-acetyl-L-phenylalanin...)
ITC DataΔG°: -2.58kcal/mole −TΔS°: -0.876kcal/mole ΔH°: -1.71kcal/mole logk: 78
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36049(N-t-Boc-D-alanine)
ITC DataΔG°: -3.87kcal/mole −TΔS°: -1.24kcal/mole ΔH°: -2.63kcal/mole logk: 695
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36050(N-t-Boc-L-alanine)
ITC DataΔG°: -3.78kcal/mole −TΔS°: -1.22kcal/mole ΔH°: -2.56kcal/mole logk: 593
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36069(N-Cbz-D-alanine)
ITC DataΔG°: -3.08kcal/mole −TΔS°: -0.577kcal/mole ΔH°: -2.51kcal/mole logk: 183
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36070(N-Cbz-L-alanine | N-Cbz-L-serine)
ITC DataΔG°: -3.05kcal/mole −TΔS°: -0.527kcal/mole ΔH°: -2.53kcal/mole logk: 172
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36096((R)-2-phenylbutyric acid)
ITC DataΔG°: -3.21kcal/mole −TΔS°: -1.24kcal/mole ΔH°: -1.96kcal/mole logk: 226
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36097((S)-2-phenylbutyric acid)
ITC DataΔG°: -3.14kcal/mole −TΔS°: -1.15kcal/mole ΔH°: -2.00kcal/mole logk: 200
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36098((R)-3-phenylbutyric acid | 3-Phenylbutyrate)
ITC DataΔG°: -3.59kcal/mole −TΔS°: -1.57kcal/mole ΔH°: -2.01kcal/mole logk: 428
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36099((S)-3-phenylbutyric acid)
ITC DataΔG°: -3.60kcal/mole −TΔS°: -1.55kcal/mole ΔH°: -2.05kcal/mole logk: 439
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36102((R)-phenyllactic acid)
ITC DataΔG°: -3.28kcal/mole −TΔS°: -0.242kcal/mole ΔH°: -3.03kcal/mole logk: 254
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36103((S)-phenyllactic acid)
ITC DataΔG°: -3.10kcal/mole −TΔS°: -0.598kcal/mole ΔH°: -2.51kcal/mole logk: 189
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36026(3-phenylpropionate | 3-phenylpropionic acid)
ITC DataΔG°: -3.33kcal/mole −TΔS°: -1.50kcal/mole ΔH°: -1.84kcal/mole logk: 278
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

ITC DataΔG°: -3.36kcal/mole −TΔS°: -0.933kcal/mole ΔH°: -2.44kcal/mole logk: 291
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36075(O,O'-dibenzoyl-D-tartaric acid)
ITC DataΔG°: -2.45kcal/mole −TΔS°: -1.24kcal/mole ΔH°: -1.22kcal/mole logk: 63
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36076(O,O'-dibenzoyl-L-tartaric acid)
ITC DataΔG°: -2.24kcal/mole −TΔS°: -1.36kcal/mole ΔH°: -0.874kcal/mole logk: 44
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36079(O,O'-di-p-toluoyl-D-tartaric acid)
ITC DataΔG°: -3.24kcal/mole −TΔS°: -1.64kcal/mole ΔH°: -1.59kcal/mole logk: 237
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36080(O,O'-di-p-toluoyl-L-tartaric acid)
ITC DataΔG°: -3.24kcal/mole −TΔS°: -1.98kcal/mole ΔH°: -1.26kcal/mole logk: 240
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36081(Gly-D-Phe)
ITC DataΔG°: -2.17kcal/mole −TΔS°: -0.406kcal/mole ΔH°: -1.77kcal/mole logk: 39
pH: 6.1 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM36082(Gly-L-Phe)
ITC DataΔG°: -2.21kcal/mole −TΔS°: -0.214kcal/mole ΔH°: -2.01kcal/mole logk: 42
pH: 6.1 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM50129068((2R)-hydroxy(phenyl)acetate | (R)-2-Hydroxy-2-phen...)
ITC DataΔG°: -2.37kcal/mole −TΔS°: -0.762kcal/mole ΔH°: -1.61kcal/mole logk: 55
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

GuestPNGBDBM50129068((2R)-hydroxy(phenyl)acetate | (R)-2-Hydroxy-2-phen...)
ITC DataΔG°: -2.44kcal/mole −TΔS°: -0.598kcal/mole ΔH°: -1.84kcal/mole logk: 61.2
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

ITC DataΔG°: -3.35kcal/mole −TΔS°: -0.883kcal/mole ΔH°: -2.46kcal/mole logk: 285
pH: 6.9 T: 25.00°C 
HostPNGBDBM36127(6-Amino-6-deoxy-beta-cyclodextrin (am-beta-CD) | 6...)
Japan Science And Technology Agency

ITC DataΔG°: -3.45kcal/mole −TΔS°: -1.00kcal/mole ΔH°: -2.44kcal/mole logk: 337
pH: 6.9 T: 25.00°C