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PubMed code 16480259

Compile data set for download or QSAR
Found 22 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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182460
PNG
(CHEMBL201041 | methyl 4'-[({[1-({[5-(trifluorometh...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N3O4/c1-36-23(34)21-5-3-2-4-20(21)17-8-6-16(7-9-17)13-31-24(35)25(10-11-25)32-22(33)18-12-19(15-30-14-18)26(27,28)29/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,35)(H,32,33)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50165843
PNG
(4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)
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11.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182462
PNG
(CHEMBL202090 | methyl 4'-{[({1-[(pyrimidin-5-ylcar...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncnc2)cc1
Show InChI InChI=1S/C24H22N4O4/c1-32-22(30)20-5-3-2-4-19(20)17-8-6-16(7-9-17)12-27-23(31)24(10-11-24)28-21(29)18-13-25-15-26-14-18/h2-9,13-15H,10-12H2,1H3,(H,27,31)(H,28,29)
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25.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182456
PNG
(CHEMBL202089 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N2O4/c1-31-19(29)17-5-3-2-4-16(17)15-8-6-14(7-9-15)13-26-20(30)21(10-11-21)27-18(28)12-22(23,24)25/h2-9H,10-13H2,1H3,(H,26,30)(H,27,28)
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182463
PNG
(CHEMBL381009 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C23H23F3N2O4/c1-32-20(30)18-6-3-2-5-17(18)16-9-7-15(8-10-16)14-27-21(31)22(11-4-12-22)28-19(29)13-23(24,25)26/h2-3,5-10H,4,11-14H2,1H3,(H,27,31)(H,28,29)
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182455
PNG
(CHEMBL201210 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O4/c1-33-21(31)19-7-3-2-6-18(19)17-10-8-16(9-11-17)15-28-22(32)23(12-4-5-13-23)29-20(30)14-24(25,26)27/h2-3,6-11H,4-5,12-15H2,1H3,(H,28,32)(H,29,30)
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462n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182454
PNG
(CHEMBL201107 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O4/c1-34-22(32)20-8-4-3-7-19(20)18-11-9-17(10-12-18)16-29-23(33)24(13-5-2-6-14-24)30-21(31)15-25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,33)(H,30,31)
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752n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182458
PNG
(CHEMBL201310 | methyl 4'-({[N-(3,3,3-trifluoroprop...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c1-13(26-18(27)11-21(22,23)24)19(28)25-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(29)30-2/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182459
PNG
(CHEMBL201717 | methyl 4'-[({2-methyl-2-[(3,3,3-tri...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C(C)(C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C22H23F3N2O4/c1-21(2,27-18(28)12-22(23,24)25)20(30)26-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19(29)31-3/h4-11H,12-13H2,1-3H3,(H,26,30)(H,27,28)
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3.45E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182456
PNG
(CHEMBL202089 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N2O4/c1-31-19(29)17-5-3-2-4-16(17)15-8-6-14(7-9-15)13-26-20(30)21(10-11-21)27-18(28)12-22(23,24)25/h2-9H,10-13H2,1H3,(H,26,30)(H,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182462
PNG
(CHEMBL202090 | methyl 4'-{[({1-[(pyrimidin-5-ylcar...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncnc2)cc1
Show InChI InChI=1S/C24H22N4O4/c1-32-22(30)20-5-3-2-4-19(20)17-8-6-16(7-9-17)12-27-23(31)24(10-11-24)28-21(29)18-13-25-15-26-14-18/h2-9,13-15H,10-12H2,1H3,(H,27,31)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182463
PNG
(CHEMBL381009 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C23H23F3N2O4/c1-32-20(30)18-6-3-2-5-17(18)16-9-7-15(8-10-16)14-27-21(31)22(11-4-12-22)28-19(29)13-23(24,25)26/h2-3,5-10H,4,11-14H2,1H3,(H,27,31)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182459
PNG
(CHEMBL201717 | methyl 4'-[({2-methyl-2-[(3,3,3-tri...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C(C)(C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C22H23F3N2O4/c1-21(2,27-18(28)12-22(23,24)25)20(30)26-13-14-8-10-15(11-9-14)16-6-4-5-7-17(16)19(29)31-3/h4-11H,12-13H2,1-3H3,(H,26,30)(H,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182458
PNG
(CHEMBL201310 | methyl 4'-({[N-(3,3,3-trifluoroprop...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@@H](C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c1-13(26-18(27)11-21(22,23)24)19(28)25-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(29)30-2/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182454
PNG
(CHEMBL201107 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C25H27F3N2O4/c1-34-22(32)20-8-4-3-7-19(20)18-11-9-17(10-12-18)16-29-23(33)24(13-5-2-6-14-24)30-21(31)15-25(26,27)28/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,29,33)(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182460
PNG
(CHEMBL201041 | methyl 4'-[({[1-({[5-(trifluorometh...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CC2)NC(=O)c2cncc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N3O4/c1-36-23(34)21-5-3-2-4-20(21)17-8-6-16(7-9-17)13-31-24(35)25(10-11-25)32-22(33)18-12-19(15-30-14-18)26(27,28)29/h2-9,12,14-15H,10-11,13H2,1H3,(H,31,35)(H,32,33)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182457
PNG
(CHEMBL202463 | methyl 4'-[({[(3,3,3-trifluoropropa...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C20H19F3N2O4/c1-29-19(28)16-5-3-2-4-15(16)14-8-6-13(7-9-14)11-24-18(27)12-25-17(26)10-20(21,22)23/h2-9H,10-12H2,1H3,(H,24,27)(H,25,26)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182461
PNG
(CHEMBL383794 | methyl 4'-({[N-(3,3,3-trifluoroprop...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@H](C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c1-13(26-18(27)11-21(22,23)24)19(28)25-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(29)30-2/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50165843
PNG
(4'-{[3-(3,3,3-Trifluoro-propionylamino)-pyridin-2-...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNc2ncccc2NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C23H20F3N3O3/c1-32-22(31)18-6-3-2-5-17(18)16-10-8-15(9-11-16)14-28-21-19(7-4-12-27-21)29-20(30)13-23(24,25)26/h2-12H,13-14H2,1H3,(H,27,28)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50182455
PNG
(CHEMBL201210 | methyl 4'-{[({1-[(3,3,3-trifluoropr...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)C2(CCCC2)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C24H25F3N2O4/c1-33-21(31)19-7-3-2-6-18(19)17-10-8-16(9-11-17)15-28-22(32)23(12-4-5-13-23)29-20(30)14-24(25,26)27/h2-3,6-11H,4-5,12-15H2,1H3,(H,28,32)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to bradykinin B2 receptor


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182461
PNG
(CHEMBL383794 | methyl 4'-({[N-(3,3,3-trifluoroprop...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)[C@H](C)NC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C21H21F3N2O4/c1-13(26-18(27)11-21(22,23)24)19(28)25-12-14-7-9-15(10-8-14)16-5-3-4-6-17(16)20(29)30-2/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H,26,27)/t13-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50182457
PNG
(CHEMBL202463 | methyl 4'-[({[(3,3,3-trifluoropropa...)
Show SMILES COC(=O)c1ccccc1-c1ccc(CNC(=O)CNC(=O)CC(F)(F)F)cc1
Show InChI InChI=1S/C20H19F3N2O4/c1-29-19(28)16-5-3-2-4-15(16)14-8-6-13(7-9-14)11-24-18(27)12-25-17(26)10-20(21,22)23/h2-9H,10-12H2,1H3,(H,24,27)(H,25,26)
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5.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human bradykinin B1 receptor expressed in CHO cells


J Med Chem 49: 1231-4 (2006)


Article DOI: 10.1021/jm0511280
BindingDB Entry DOI: 10.7270/Q2MW2GQ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%