Compile Data Set for Download or QSAR

Found 11 hits with all data for this entryid   

HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197283BDBM197283(SAMPL3, G6)
ITC DataΔG°: -44.9kJ/mole logk: 6.50E+7
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 36284BDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197285BDBM197285(SAMPL3, G8)
ITC DataΔG°: -40.2kJ/mole −TΔS°: -9.90kJ/mole ΔH°: -30kJ/mole logk: 1.00E+7
pH: 7.0 T: 26.85°C 
HostChemical structure of BindingDB Monomer ID 36284BDBM36284(SAMPL3, H3 | BDBM36303 | Methyl Viologen-Cucurbit[...)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197286BDBM197286(SAMPL3, G9)
ITC DataΔG°: -37.6kJ/mole −TΔS°: -20.1kJ/mole ΔH°: -18kJ/mole logk: 3.60E+6
pH: 7.0 T: 26.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197284BDBM197284(SAMPL3, G7)
ITC DataΔG°: -32.9kJ/mole logk: 5.30E+7
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 36281BDBM36281(BDBM197279 | cucurbit[7]uril)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197286BDBM197286(SAMPL3, G9)
ITC DataΔG°: -31.1kJ/mole −TΔS°: -15kJ/mole ΔH°: -16kJ/mole logk: 2.60E+5
pH: 7.0 T: 26.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 64452BDBM64452(2-(diethylamino)ethyl 4-azanylbenzoate hydrochlori...)
ITC DataΔG°: -29.7kJ/mole logk: 1.50E+5
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197281BDBM197281(SAMPL3, G3)
ITC DataΔG°: -28.5kJ/mole logk: 9.00E+4
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 36281BDBM36281(BDBM197279 | cucurbit[7]uril)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197285BDBM197285(SAMPL3, G8)
ITC DataΔG°: -25.6kJ/mole −TΔS°: 9.90kJ/mole ΔH°: -36kJ/mole logk: 2.90E+4
pH: 7.0 T: 26.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 50017662BDBM50017662(CHEMBL79 | N-(2,6-dimethylphenyl)-N(2),N(2)-diethy...)
ITC DataΔG°: -25.4kJ/mole logk: 2.60E+4
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 50350790BDBM50350790(Bupivacaine | BUPIVACAINE HYDROCHLORIDE | SAMPL3, ...)
ITC DataΔG°: -24.5kJ/mole logk: 1.80E+4
pH: 7.4 T: 24.85°C 
HostChemical structure of BindingDB Monomer ID 197280BDBM197280(SAMPL3, H1)
University of California San Diego

GuestChemical structure of BindingDB Monomer ID 197282BDBM197282(SAMPL3, G4)
ITC DataΔG°: -17.5kJ/mole logk: 1.10E+3
pH: 7.4 T: 24.85°C 
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