Found 158 hits with Last Name = 'maurer' and Initial = 'b' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Baculoviral IAP repeat-containing protein 2 [269-336]
(Homo sapiens (Human)) | BDBM32578
(CS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 10 | -45.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Max-like protein X
(Homo sapiens (Human)) | BDBM50388975
(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 | Reactome pathway
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UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 [269-336]
(Homo sapiens (Human)) | BDBM32580
(CS-3)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 16 | -44.0 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50388975
(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 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388975
(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 | PDB
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UniChem
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway
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| CHEMBL
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UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 3
(Homo sapiens (Human)) | BDBM32576
(PS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1 | PDB
MMDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | -42.3 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388974
(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 | PDB
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| CHEMBL
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UniChem
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 2 [269-336]
(Homo sapiens (Human)) | BDBM32576
(PS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 36 | -42.1 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2 [269-336]
(Homo sapiens (Human)) | BDBM32579
(CS-2)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | -42.0 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM50388975
(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 | PDB
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PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Baculoviral IAP repeat-containing protein 3 [255-322]
(Homo sapiens (Human)) | BDBM32578
(CS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1 | PDB
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | -41.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Max-like protein X
(Homo sapiens (Human)) | BDBM50388968
(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 | Reactome pathway
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UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway
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UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 3 [255-322]
(Homo sapiens (Human)) | BDBM32580
(CS-3)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | PDB
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| 85 | -40.0 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Max-like protein X
(Homo sapiens (Human)) | BDBM50388973
(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 | Reactome pathway
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 3 [255-322]
(Homo sapiens (Human)) | BDBM32576
(PS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m0/s1 | PDB
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| 96 | -39.7 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388975
(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 | PDB
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| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Baculoviral IAP repeat-containing protein 3 [255-322]
(Homo sapiens (Human)) | BDBM32579
(CS-2)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1 | PDB
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| 114 | -39.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388970
(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 | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388968
(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 | PDB
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| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388969
(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 | PDB
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| 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | Reactome pathway
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| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388973
(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 | PDB
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| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388972
(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 | PDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM32578
(CS-1)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1 |r| Show InChI InChI=1S/C28H40N6O3/c1-18-15-16-33(28(37)24(21-11-7-5-8-12-21)31-26(35)20(3)29-4)25(18)27(36)30-23-17-19(2)32-34(23)22-13-9-6-10-14-22/h6,9-10,13-14,17-18,20-21,24-25,29H,5,7-8,11-12,15-16H2,1-4H3,(H,30,36)(H,31,35)/t18-,20-,24-,25-/m0/s1 | PDB
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| 2.40E+3 | -31.8 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM32579
(CS-2)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C27H36N6O3/c1-18(28-2)25(34)32-23(19-10-4-3-5-11-19)27(36)33-17-8-14-22(33)26(35)31-21-13-7-6-12-20(21)24-29-15-9-16-30-24/h6-7,9,12-13,15-16,18-19,22-23,28H,3-5,8,10-11,14,17H2,1-2H3,(H,31,35)(H,32,34)/t18-,22-,23-/m0/s1 | PDB
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| 5.05E+3 | -29.9 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50388971
(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 | PDB
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| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50388975
(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 | PDB
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| 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM32580
(CS-3)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r| Show InChI InChI=1S/C28H38N6O3/c1-18-14-17-34(28(37)23(20-10-5-4-6-11-20)33-26(35)19(2)29-3)24(18)27(36)32-22-13-8-7-12-21(22)25-30-15-9-16-31-25/h7-9,12-13,15-16,18-20,23-24,29H,4-6,10-11,14,17H2,1-3H3,(H,32,36)(H,33,35)/t18-,19-,23-,24-/m0/s1 | PDB
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| >3.40E+4 | >-25.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3
(Homo sapiens (Human)) | BDBM32577
(ent-PS-1)Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.40E+4 | >-25.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 3 [255-322]
(Homo sapiens (Human)) | BDBM32577
(ent-PS-1)Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.40E+4 | >-25.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2 [269-336]
(Homo sapiens (Human)) | BDBM32577
(ent-PS-1)Show SMILES CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r| Show InChI InChI=1S/C27H32ClN5O3S/c1-16(29-2)25(34)31-22(17-10-14-36-15-11-17)27(35)33-13-5-8-20(33)26-32-24-21(37-26)9-12-30-23(24)18-6-3-4-7-19(18)28/h3-4,6-7,9,12,16-17,20,22,29H,5,8,10-11,13-15H2,1-2H3,(H,31,34)/t16-,20-,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.40E+4 | >-25.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Genentech
| Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a... |
ACS Chem Biol 4: 557-66 (2009)
Article DOI: 10.1021/cb900083m
BindingDB Entry DOI: 10.7270/Q2DJ5D0Q |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50388183
(CHEMBL2057915)Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM36516
(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064869
(CHEMBL3401277)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H33N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h5,7-8,10-13,18-19H,3-4,6,9,14-17H2,1-2H3,(H,33,34)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064866
(CHEMBL3401289)Show SMILES CN1CCC(CC1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 Show InChI InChI=1S/C33H37N5O2S/c1-21-26(8-6-9-27(21)36-32(39)30-19-24-7-4-5-10-29(24)41-30)28-20-38(3)33(40)31(35-28)34-25-13-11-22(12-14-25)23-15-17-37(2)18-16-23/h6,8-9,11-14,19-20,23H,4-5,7,10,15-18H2,1-3H3,(H,34,35)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064863
(CHEMBL3401292)Show SMILES CN1CCN(C)C(=O)[C@@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064887
(CHEMBL3401281)Show SMILES Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H29N5O4S/c1-20-24(7-5-8-25(20)35-30(38)28-18-22-6-3-4-9-27(22)42-28)26-19-36(2)32(40)29(34-26)33-23-12-10-21(11-13-23)31(39)37-14-16-41-17-15-37/h3-13,18-19H,14-17H2,1-2H3,(H,33,34)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064875
(CHEMBL3401269)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C2(C)CC2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C34H35N5O4/c1-22-27(5-4-6-28(22)37-31(40)23-7-11-25(12-8-23)34(2)15-16-34)29-21-38(3)33(42)30(36-29)35-26-13-9-24(10-14-26)32(41)39-17-19-43-20-18-39/h4-14,21H,15-20H2,1-3H3,(H,35,36)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064876
(CHEMBL3401267)Show SMILES CCC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C35H39N5O4/c1-6-35(3,4)26-14-10-24(11-15-26)32(41)38-29-9-7-8-28(23(29)2)30-22-39(5)34(43)31(37-30)36-27-16-12-25(13-17-27)33(42)40-18-20-44-21-19-40/h7-17,22H,6,18-21H2,1-5H3,(H,36,37)(H,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064868
(CHEMBL3401286)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc3[nH]ccc3c2)n1 Show InChI InChI=1S/C29H27N5O2S/c1-17-21(7-5-8-22(17)33-28(35)26-15-19-6-3-4-9-25(19)37-26)24-16-34(2)29(36)27(32-24)31-20-10-11-23-18(14-20)12-13-30-23/h5,7-8,10-16,30H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064864
(CHEMBL3401291)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)-c2ncc[nH]2)n1 Show InChI InChI=1S/C30H28N6O2S/c1-18-22(7-5-8-23(18)35-29(37)26-16-20-6-3-4-9-25(20)39-26)24-17-36(2)30(38)28(34-24)33-21-12-10-19(11-13-21)27-31-14-15-32-27/h5,7-8,10-17H,3-4,6,9H2,1-2H3,(H,31,32)(H,33,34)(H,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064885
(CHEMBL3401283)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2cccnc2)n1 Show InChI InChI=1S/C26H25N5O2S/c1-16-19(21-15-31(2)26(33)24(29-21)28-18-8-6-12-27-14-18)9-5-10-20(16)30-25(32)23-13-17-7-3-4-11-22(17)34-23/h5-6,8-10,12-15H,3-4,7,11H2,1-2H3,(H,28,29)(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064893
(CHEMBL3401274)Show SMILES Cc1c(NC(=O)c2ncc(cn2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-29(40)27-33-17-22(18-34-27)32(2,3)4)26-19-38(5)31(42)28(36-26)35-23-11-9-21(10-12-23)30(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50064867
(CHEMBL3401288)Show SMILES Cc1c(NC(=O)c2cc3CCCCc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccn3ccnc3c2)n1 Show InChI InChI=1S/C28H26N6O2S/c1-17-20(7-5-8-21(17)32-27(35)24-14-18-6-3-4-9-23(18)37-24)22-16-33(2)28(36)26(31-22)30-19-10-12-34-13-11-29-25(34)15-19/h5,7-8,10-16H,3-4,6,9H2,1-2H3,(H,30,31)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Mus musculus) | BDBM50388183
(CHEMBL2057915)Show SMILES CN1CCN(C)C(=O)[C@H]1c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r| Show InChI InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1 | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ... |
Bioorg Med Chem Lett 25: 1333-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS |
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Ligand-Target Pair |
3D Structure (crystal) |
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