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Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'wagner' and Initial = 'aj'   
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
Max-like protein X


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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14n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388974
PNG
(CHEMBL2063868)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H28N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3-8,10-13,16,19,21,26H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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16n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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17n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP1 BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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28n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388969
PNG
(CHEMBL2063862)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N4O3/c1-19(2)25(31-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)30-18-23(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,34)(H,31,33)/t20-,24-,25-/m0/s1
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30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388970
PNG
(CHEMBL2063863)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H40N4O3S/c1-21(31-2)28(35)33-27(24-16-10-5-11-17-24)30(37)34-20-38-19-26(34)29(36)32-18-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24-27,31H,5,10-11,16-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,26-,27-/m0/s1
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30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388974
PNG
(CHEMBL2063868)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H28N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3-8,10-13,16,19,21,26H,9,14-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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35n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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43n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from cIAP2 BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388968
PNG
(CHEMBL2063866)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
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70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388972
PNG
(CHEMBL2063865)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H42N4O5/c1-20(2)27(33-28(37)21(3)31-17-24(36)19-35)30(39)34-16-10-15-26(34)29(38)32-18-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27,31,35-36H,10,15-19H2,1-3H3,(H,32,38)(H,33,37)/t21-,24-,26-,27-/m0/s1
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80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388973
PNG
(CHEMBL2063867)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(26-2)22(30)28-21(18-7-4-3-5-8-18)24(32)29-14-6-9-20(29)23(31)27-15-17-10-12-19(25)13-11-17/h10-13,16,18,20-21,26H,3-9,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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90n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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112n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR2 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388970
PNG
(CHEMBL2063863)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H40N4O3S/c1-21(31-2)28(35)33-27(24-16-10-5-11-17-24)30(37)34-20-38-19-26(34)29(36)32-18-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-4,6-9,12-15,21,24-27,31H,5,10-11,16-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,26-,27-/m0/s1
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190n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388968
PNG
(CHEMBL2063866)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H42N4O3/c1-22(32-2)29(36)34-28(25-17-10-5-11-18-25)31(38)35-20-12-19-27(35)30(37)33-21-26(23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-4,6-9,13-16,22,25-28,32H,5,10-12,17-21H2,1-2H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
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410n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388969
PNG
(CHEMBL2063862)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C28H38N4O3/c1-19(2)25(31-26(33)20(3)29-4)28(35)32-17-11-16-24(32)27(34)30-18-23(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15,19-20,23-25,29H,11,16-18H2,1-4H3,(H,30,34)(H,31,33)/t20-,24-,25-/m0/s1
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430n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Max-like protein X


(Homo sapiens (Human))
BDBM50388971
PNG
(CHEMBL2063864)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H42N4O3/c1-21(2)28(34-29(36)22(3)32-19-23-16-17-23)31(38)35-18-10-15-27(35)30(37)33-20-26(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,21-23,26-28,32H,10,15-20H2,1-3H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
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460n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from MLXBIR3SG after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388973
PNG
(CHEMBL2063867)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(26-2)22(30)28-21(18-7-4-3-5-8-18)24(32)29-14-6-9-20(29)23(31)27-15-17-10-12-19(25)13-11-17/h10-13,16,18,20-21,26H,3-9,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,20-,21-/m0/s1
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700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388972
PNG
(CHEMBL2063865)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H42N4O5/c1-20(2)27(33-28(37)21(3)31-17-24(36)19-35)30(39)34-16-10-15-26(34)29(38)32-18-25(22-11-6-4-7-12-22)23-13-8-5-9-14-23/h4-9,11-14,20-21,24-27,31,35-36H,10,15-19H2,1-3H3,(H,32,38)(H,33,37)/t21-,24-,26-,27-/m0/s1
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800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM50388971
PNG
(CHEMBL2063864)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C31H42N4O3/c1-21(2)28(34-29(36)22(3)32-19-23-16-17-23)31(38)35-18-10-15-27(35)30(37)33-20-26(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,21-23,26-28,32H,10,15-20H2,1-3H3,(H,33,37)(H,34,36)/t22-,27-,28-/m0/s1
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7.60E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-conjugated AVP-diPhe-FAM from XIAP BIR3 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3)


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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9.60E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of AVPFAK(5-FAM)K (Hid-FAM) from cIAP2 BIR2 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2


(Homo sapiens (Human))
BDBM50388975
PNG
(CHEMBL2063869)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1 |r|
Show InChI InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1
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1.45E+4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of AVPFAK(5-FAM)K (Hid-FAM) from cIAP1 BIR2 domain after 30 mins by fluorescence polarization-based competition assay


J Med Chem 55: 4101-13 (2012)


Article DOI: 10.1021/jm300060k
BindingDB Entry DOI: 10.7270/Q2HQ410F
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238434
PNG
(CHEMBL4098952)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 2n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 2.5n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238417
PNG
(CHEMBL4094551)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1
PDB

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n/an/a 4n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238434
PNG
(CHEMBL4098952)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238433
PNG
(CHEMBL4080918)
Show SMILES O=C(N1CCN(CC1)c1ccncc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 6.30n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238418
PNG
(CHEMBL4096094)
Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238449
PNG
(CHEMBL4089774)
Show SMILES O=C1COCCN1c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238448
PNG
(CHEMBL4083872)
Show SMILES O=C1CCCN1c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238416
PNG
(CHEMBL4087470)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238447
PNG
(CHEMBL4101869)
Show SMILES CN(C(C)=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 10n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL


Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238437
PNG
(CHEMBL4068794)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1cc[nH]n1
PDB

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n/an/a 10n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238436
PNG
(CHEMBL4079594)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 16n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238422
PNG
(CHEMBL4098529)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 16n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238416
PNG
(CHEMBL4087470)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 16n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238427
PNG
(CHEMBL4066552)
Show SMILES COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 20n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238430
PNG
(CHEMBL4096495)
Show SMILES O=C(C1CC1)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 20n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238416
PNG
(CHEMBL4087470)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 20n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238446
PNG
(CHEMBL4073498)
Show SMILES CC(=O)Nc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 20n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238414
PNG
(CHEMBL4079993)
Show SMILES O=C(N1CCN(CC1)c1cccnc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 25n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238435
PNG
(CHEMBL4066095)
Show SMILES O=C(C1CCOCC1)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 25n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238421
PNG
(CHEMBL4088369)
Show SMILES Cn1cncc1C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 25n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238431
PNG
(CHEMBL4069265)
Show SMILES O=C(N1CCN(CC1)C1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 32n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238432
PNG
(CHEMBL4104232)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 32n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 32n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238419
PNG
(CHEMBL4060134)
Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 32n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238424
PNG
(CHEMBL4077695)
Show SMILES O=C(N1CCNCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

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n/an/a 50n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238428
PNG
(CHEMBL4087876)
Show SMILES O=C(N1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
PDB
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n/an/a 50n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238445
PNG
(CHEMBL1516121)
Show SMILES CN(C)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50238414
PNG
(CHEMBL4079993)
Show SMILES O=C(N1CCN(CC1)c1cccnc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



A GlaxoSmithKline Company

Curated by ChEMBL




J Med Chem 60: 5455-5471 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00137
More data for this
Ligand-Target Pair
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