Found 140 hits with Last Name = 'deshayes' and Initial = 'k' 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 |
|---|
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030759
(CHEMBL3342194)Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H28N6O4S2/c40-30(37-32-35-26-8-1-2-9-27(26)44-32)24-7-3-6-21-15-18-38(20-25(21)24)33-36-29(31(41)42)28(45-33)10-4-19-43-23-13-11-22(12-14-23)39-17-5-16-34-39/h1-3,5-9,11-14,16-17H,4,10,15,18-20H2,(H,41,42)(H,35,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030758
(CHEMBL3342195)Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030757
(CHEMBL3342196)Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030752
(CHEMBL3342333)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-9-23-14-15-24(20-27(23)36)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-22-8-5-10-25(26(22)21-41)32(42)39-34-37-28-11-3-4-12-29(28)46-34/h3-5,8,10-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030754
(CHEMBL3342332)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | 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
| Article
PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030756
(CHEMBL3342197)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030757
(CHEMBL3342196)Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030751
(CHEMBL3342334)Show SMILES CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H31F2N5O4S2/c1-41(2)15-6-9-22-18-26(37)28(19-25(22)36)46-17-7-13-30-31(33(44)45)39-35(48-30)42-16-14-21-8-5-10-23(24(21)20-42)32(43)40-34-38-27-11-3-4-12-29(27)47-34/h3-5,8,10-12,18-19H,7,13-17,20H2,1-2H3,(H,44,45)(H,38,40,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030755
(CHEMBL3342198)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1 Show InChI InChI=1S/C35H32ClN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030761
(CHEMBL3342192)Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030758
(CHEMBL3342195)Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030754
(CHEMBL3342332)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | 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
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50030760
(CHEMBL3342193)Show SMILES OC(=O)c1nc(sc1CCCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H30N8O4S2/c45-33(42-35-40-28-8-1-2-9-29(28)49-35)26-7-5-6-22-15-16-43(20-27(22)26)36-41-31(34(46)47)30(50-36)10-3-4-17-48-25-13-11-24(12-14-25)44-32-23(19-39-44)18-37-21-38-32/h1-2,5-9,11-14,18-19,21H,3-4,10,15-17,20H2,(H,46,47)(H,40,42,45) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-2 (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030756
(CHEMBL3342197)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030751
(CHEMBL3342334)Show SMILES CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H31F2N5O4S2/c1-41(2)15-6-9-22-18-26(37)28(19-25(22)36)46-17-7-13-30-31(33(44)45)39-35(48-30)42-16-14-21-8-5-10-23(24(21)20-42)32(43)40-34-38-27-11-3-4-12-29(27)47-34/h3-5,8,10-12,18-19H,7,13-17,20H2,1-2H3,(H,44,45)(H,38,40,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030749
(CHEMBL3342190)Show SMILES OC(=O)c1nc(sc1CCCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-10-1-2-11-28(27)48-34)25-9-3-6-21-13-14-42(19-26(21)25)35-40-30(33(45)46)29(49-35)12-5-15-47-24-8-4-7-23(16-24)43-31-22(18-38-43)17-36-20-37-31/h1-4,6-11,16-18,20H,5,12-15,19H2,(H,45,46)(H,39,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030761
(CHEMBL3342192)Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030755
(CHEMBL3342198)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1 Show InChI InChI=1S/C35H32ClN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030759
(CHEMBL3342194)Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H28N6O4S2/c40-30(37-32-35-26-8-1-2-9-27(26)44-32)24-7-3-6-21-15-18-38(20-25(21)24)33-36-29(31(41)42)28(45-33)10-4-19-43-23-13-11-22(12-14-23)39-17-5-16-34-39/h1-3,5-9,11-14,16-17H,4,10,15,18-20H2,(H,41,42)(H,35,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030752
(CHEMBL3342333)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-9-23-14-15-24(20-27(23)36)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-22-8-5-10-25(26(22)21-41)32(42)39-34-37-28-11-3-4-12-29(28)46-34/h3-5,8,10-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030750
(CHEMBL3342189)Show SMILES OC(=O)c1nc(sc1CCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H26N8O4S2/c43-31(40-33-38-26-9-1-2-10-27(26)47-33)24-8-3-5-20-11-13-41(18-25(20)24)34-39-29(32(44)45)28(48-34)12-14-46-23-7-4-6-22(15-23)42-30-21(17-37-42)16-35-19-36-30/h1-10,15-17,19H,11-14,18H2,(H,44,45)(H,38,40,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030760
(CHEMBL3342193)Show SMILES OC(=O)c1nc(sc1CCCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H30N8O4S2/c45-33(42-35-40-28-8-1-2-9-29(28)49-35)26-7-5-6-22-15-16-43(20-27(22)26)36-41-31(34(46)47)30(50-36)10-3-4-17-48-25-13-11-24(12-14-25)44-32-23(19-39-44)18-37-21-38-32/h1-2,5-9,11-14,18-19,21H,3-4,10,15-17,20H2,(H,46,47)(H,40,42,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
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 | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030749
(CHEMBL3342190)Show SMILES OC(=O)c1nc(sc1CCCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-10-1-2-11-28(27)48-34)25-9-3-6-21-13-14-42(19-26(21)25)35-40-30(33(45)46)29(49-35)12-5-15-47-24-8-4-7-23(16-24)43-31-22(18-38-43)17-36-20-37-31/h1-4,6-11,16-18,20H,5,12-15,19H2,(H,45,46)(H,39,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030762
(CHEMBL3342191)Show SMILES OC(=O)c1nc(sc1CCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H26N8O4S2/c43-31(40-33-38-26-6-1-2-7-27(26)47-33)24-5-3-4-20-12-14-41(18-25(20)24)34-39-29(32(44)45)28(48-34)13-15-46-23-10-8-22(9-11-23)42-30-21(17-37-42)16-35-19-36-30/h1-11,16-17,19H,12-15,18H2,(H,44,45)(H,38,40,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
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
KEGG
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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
KEGG
UniProtKB/SwissProt
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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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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 | |
Bcl-2-like protein 2
(Homo sapiens (Human)) | BDBM50030754
(CHEMBL3342332)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB
MMDB
KEGG
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-W (unknown origin) |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
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
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| 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 | |
Baculoviral IAP repeat-containing protein 2 [266-354]
(Homo sapiens (Human)) | BDBM17344
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1 | PDB
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| Article
PubMed
| 30 | -42.5 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
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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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 | |
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
KEGG
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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 | |
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
KEGG
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antibodypedia
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| PC cid
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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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UniChem
| Article
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| 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
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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
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| PC cid
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Similars
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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 | |
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM17344
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1 | PDB
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| MMDB
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Article
PubMed
| 40 | -41.8 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030750
(CHEMBL3342189)Show SMILES OC(=O)c1nc(sc1CCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H26N8O4S2/c43-31(40-33-38-26-9-1-2-10-27(26)47-33)24-8-3-5-20-11-13-41(18-25(20)24)34-39-29(32(44)45)28(48-34)12-14-46-23-7-4-6-22(15-23)42-30-21(17-37-42)16-35-19-36-30/h1-10,15-17,19H,11-14,18H2,(H,44,45)(H,38,40,43) | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
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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| Purchase
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MCE
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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 2 [266-354]
(Homo sapiens (Human)) | BDBM17345
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1 | PDB
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| PC cid
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Similars
| Article
PubMed
| 50 | -41.3 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
More data for this
Ligand-Target Pair | |
Complex of Baculoviral IAP repeat-containing protein 7 [1-159,S150G] and E3 ubiquitin-protein ligase XIAP [336-348]
(Homo sapiens (Human)) | BDBM17345
((3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-p...)Show SMILES [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r| Show InChI InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1 | PDB
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| PC cid
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| PDB
Article
PubMed
| 50 | -41.3 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
E3 ubiquitin-protein ligase XIAP [241-356]
(Homo sapiens (Human)) | BDBM17344
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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DrugBank
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PC cid
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UniChem
Similars
| Article
PubMed
| 50 | -41.3 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
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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| 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 | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030760
(CHEMBL3342193)Show SMILES OC(=O)c1nc(sc1CCCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C36H30N8O4S2/c45-33(42-35-40-28-8-1-2-9-29(28)49-35)26-7-5-6-22-15-16-43(20-27(22)26)36-41-31(34(46)47)30(50-36)10-3-4-17-48-25-13-11-24(12-14-25)44-32-23(19-39-44)18-37-21-38-32/h1-2,5-9,11-14,18-19,21H,3-4,10,15-17,20H2,(H,46,47)(H,40,42,45) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50030756
(CHEMBL3342197)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41) | PDB
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antibodypedia
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PC cid
PC sid
UniChem
Similars
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PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BCL-2 (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 | |
Baculoviral IAP repeat-containing protein 3 [252-340]
(Homo sapiens (Human)) | BDBM17344
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 70 | -40.4 | 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 1: 525-33 (2006)
Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34 |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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 | |
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