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Patent code US10377755

Compile Data Set for Download or QSAR
Found 15 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417040
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN9O6S/c1-45(2)13-11-32(37(26-45)30-3-5-33(47)6-4-30)28-54-17-19-55(20-18-54)34-7-9-36(40(24-34)56-41-23-31-12-16-49-43(31)52-39(41)27-51-56)44(58)53-64(61,62)35-8-10-38(42(25-35)57(59)60)50-29-46(48)14-21-63-22-15-46/h3-10,12,16,23-25,27,50H,11,13-15,17-22,26,28-29H2,1-2H3,(H,49,52)(H,53,58)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417037
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C50H57ClN10O6S/c1-50(2)17-11-35(42(30-50)33-3-5-36(51)6-4-33)32-57-21-23-59(24-22-57)39-7-9-41(45(28-39)60-46-27-34-12-18-52-48(34)55-44(46)31-53-60)49(62)56-68(65,66)40-8-10-43(47(29-40)61(63)64)54-37-13-19-58(20-14-37)38-15-25-67-26-16-38/h3-10,12,18,27-29,31,37-38,54H,11,13-17,19-26,30,32H2,1-2H3,(H,52,55)(H,56,62)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417048
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClN8O7S/c1-46(2)15-11-33(38(26-46)31-3-5-34(47)6-4-31)28-52-17-19-53(20-18-52)35-7-9-37(40(24-35)54-41-23-32-12-16-48-44(32)50-39(41)27-49-54)45(56)51-63(59,60)36-8-10-43(42(25-36)55(57)58)62-29-30-13-21-61-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,48,50)(H,51,56)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417041
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CN1CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2-n2ncc3nc4[nH]ccc4cc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H53ClN10O5S/c1-47(2)16-12-34(39(27-47)32-4-6-35(48)7-5-32)30-55-20-22-56(23-21-55)36-8-10-38(42(25-36)57-43-24-33-13-17-49-45(33)52-41(43)29-51-57)46(59)53-64(62,63)37-9-11-40(44(26-37)58(60)61)50-28-31-14-18-54(3)19-15-31/h4-11,13,17,24-26,29,31,50H,12,14-16,18-23,27-28,30H2,1-3H3,(H,49,52)(H,53,59)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417043
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(SCC4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClN8O6S2/c1-46(2)15-11-33(38(26-46)31-3-5-34(47)6-4-31)28-52-17-19-53(20-18-52)35-7-9-37(40(24-35)54-41-23-32-12-16-48-44(32)50-39(41)27-49-54)45(56)51-63(59,60)36-8-10-43(42(25-36)55(57)58)62-29-30-13-21-61-22-14-30/h3-10,12,16,23-25,27,30H,11,13-15,17-22,26,28-29H2,1-2H3,(H,48,50)(H,51,56)
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Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417046
PNG
((R)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahyd...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC[C@@H]4CN(CCO4)C4COC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H53ClN10O7S/c1-48(2)13-11-33(40(24-48)31-3-5-34(49)6-4-31)27-55-15-17-56(18-16-55)35-7-9-39(43(22-35)58-44-21-32-12-14-50-46(32)53-42(44)26-52-58)47(60)54-67(63,64)38-8-10-41(45(23-38)59(61)62)51-25-37-28-57(19-20-66-37)36-29-65-30-36/h3-10,12,14,21-23,26,36-37,51H,11,13,15-20,24-25,27-30H2,1-2H3,(H,50,53)(H,54,60)/t37-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US10213433, Compound 5 | US...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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Similars

US Patent
n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417039
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H46ClN9O6S/c1-44(2)13-11-31(36(26-44)29-3-5-32(45)6-4-29)28-50-15-17-51(18-16-50)33-7-9-35(39(24-33)53-40-23-30-12-14-46-42(30)48-37(40)27-47-53)43(55)49-61(58,59)34-8-10-38(41(25-34)54(56)57)52-19-21-60-22-20-52/h3-10,12,14,23-25,27H,11,13,15-22,26,28H2,1-2H3,(H,46,48)(H,49,55)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417044
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4(F)CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H54ClFN10O6S/c1-48(2)13-11-34(40(26-48)32-3-5-35(50)6-4-32)28-57-19-21-59(22-20-57)36-7-9-39(43(24-36)60-44-23-33-12-16-52-46(33)55-42(44)27-54-60)47(62)56-68(65,66)38-8-10-41(45(25-38)61(63)64)53-31-49(51)14-17-58(18-15-49)37-29-67-30-37/h3-10,12,16,23-25,27,37,53H,11,13-15,17-22,26,28-31H2,1-2H3,(H,52,55)(H,56,62)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417045
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4COC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H53ClFN9O7S/c1-48(2)13-11-34(40(26-48)32-3-5-35(50)6-4-32)28-56-19-21-58(22-20-56)36-7-9-39(42(24-36)59-43-23-33-12-16-52-46(33)54-41(43)27-53-59)47(61)55-68(64,65)38-8-10-45(44(25-38)60(62)63)67-31-49(51)14-17-57(18-15-49)37-29-66-30-37/h3-10,12,16,23-25,27,37H,11,13-15,17-22,26,28-31H2,1-2H3,(H,52,54)(H,55,61)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417047
PNG
(4-(4-((4′-chloro-5,5-dimethyl-3,4,5,6-tetrah...)
Show SMILES CN1CCC(F)(COc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2-n2ncc3nc4[nH]ccc4cc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H51ClFN9O6S/c1-46(2)14-12-33(38(27-46)31-4-6-34(48)7-5-31)29-55-20-22-56(23-21-55)35-8-10-37(40(25-35)57-41-24-32-13-17-50-44(32)52-39(41)28-51-57)45(59)53-65(62,63)36-9-11-43(42(26-36)58(60)61)64-30-47(49)15-18-54(3)19-16-47/h4-11,13,17,24-26,28H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,52)(H,53,59)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417042
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CN1CCC(F)(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2-n2ncc3nc4[nH]ccc4cc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1
Show InChI InChI=1S/C47H52ClFN10O5S/c1-46(2)14-12-33(38(27-46)31-4-6-34(48)7-5-31)29-56-20-22-57(23-21-56)35-8-10-37(41(25-35)58-42-24-32-13-17-50-44(32)53-40(42)28-52-58)45(60)54-65(63,64)36-9-11-39(43(26-36)59(61)62)51-30-47(49)15-18-55(3)19-16-47/h4-11,13,17,24-26,28,51H,12,14-16,18-23,27,29-30H2,1-3H3,(H,50,53)(H,54,60)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417035
PNG
(US10377755, Example ABT-263)
Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m0/s1
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417036
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN9O6S/c1-46(2)15-11-33(38(26-46)31-3-5-34(47)6-4-31)29-53-17-19-54(20-18-53)35-7-9-37(41(24-35)55-42-23-32-12-16-48-44(32)51-40(42)28-50-55)45(57)52-63(60,61)36-8-10-39(43(25-36)56(58)59)49-27-30-13-21-62-22-14-30/h3-10,12,16,23-25,28,30,49H,11,13-15,17-22,26-27,29H2,1-2H3,(H,48,51)(H,52,57)
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n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM417038
PNG
(4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[...)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCOCC4)c(c3)[N+]([O-])=O)c(c2)-n2ncc3nc4[nH]ccc4cc23)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H53ClN10O6S/c1-47(2)14-12-34(39(29-47)32-4-6-35(48)7-5-32)31-55-18-20-56(21-19-55)36-8-10-38(42(27-36)57-43-26-33-13-16-50-45(33)52-41(43)30-51-57)46(59)53-65(62,63)37-9-11-40(44(28-37)58(60)61)49-15-3-17-54-22-24-64-25-23-54/h4-11,13,16,26-28,30,49H,3,12,14-15,17-25,29,31H2,1-2H3,(H,50,52)(H,53,59)
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UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Newave Pharmaceutical Inc.

US Patent


Assay Description
The fluorescence-labeled 23 amino acid peptide BH3 was purchased from CalBiochem (NLWAAQRYGRELRRMSDKFVD, SEQ ID NO: 1). An unbound Fluorescein labele...


US Patent US10377755 (2019)


BindingDB Entry DOI: 10.7270/Q2BZ68FS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%