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Compile Data Set for Download or QSAR

Found 1009 hits with Last Name = 'vamos' and Initial = 'm'   
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
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518375
PNG
(US11111270, Compound 40)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(N2C1=O)C(=O)Nc1ccccc1SSc1ccccc1NC(=O)C1N2[C@H](CC1(C)C)OCC[C@H](NC(=O)[C@H](C)NC)C2=O |r,w:16.21,40.43|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518376
PNG
(US11111270, Compound 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:15.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518376
PNG
(US11111270, Compound 41)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:15.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518377
PNG
(US11111270, Compound 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24,c:15|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518377
PNG
(US11111270, Compound 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24,c:15|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518377
PNG
(US11111270, Compound 42)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24,c:15|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518378
PNG
(US11111270, Compound 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518378
PNG
(US11111270, Compound 43)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:18.24|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518379
PNG
(US11111270, Compound 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.28|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518381
PNG
(US11111270, Compound 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518379
PNG
(US11111270, Compound 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.28|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518379
PNG
(US11111270, Compound 44)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:22.28|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518381
PNG
(US11111270, Compound 45)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46 | US11111270, Compound 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391851
PNG
(US10300074, Compd 46 | US11111270, Compound 46)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CC(=O)N[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H35N5O4/c1-14(26-4)22(32)28-18-12-20(31)29-19-13-25(2,3)21(30(19)24(18)34)23(33)27-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,14,17-19,21,26H,7,9,11-13H2,1-4H3,(H,27,33)(H,28,32)(H,29,31)/t14-,17+,18-,19+,21?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518384
PNG
(US11111270, Compound 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518384
PNG
(US11111270, Compound 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518384
PNG
(US11111270, Compound 47)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:21.27|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518266
PNG
(US11111270, Compound 13)
Show SMILES CN[C@@H](C)C(=O)NC1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:14.19|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518266
PNG
(US11111270, Compound 13)
Show SMILES CN[C@@H](C)C(=O)NC1CCO[C@H]2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:14.19|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14 | US11111270, Compound 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19|
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391819
PNG
(US10300074, Compd 14 | US11111270, Compound 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r,w:14.19|
Show InChI InChI=1S/C26H32N4O4/c1-17(27-2)24(31)28-20-15-16-34-22-14-13-21(30(22)26(20)33)25(32)29-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-23,27H,13-16H2,1-2H3,(H,28,31)(H,29,32)/t17-,20-,21?,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518274
PNG
(US11111270, Compound 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:12.11,19.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM518275
PNG
(US11111270, Compound 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:12.11,19.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518275
PNG
(US11111270, Compound 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(N2C1=O)C(=O)Nc1cccc2ccccc12 |r,w:12.11,19.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518282
PNG
(US11111270, Compound 20 | US11111270, Compound 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(C)=O |r,w:13.12,19.20|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518282
PNG
(US11111270, Compound 20 | US11111270, Compound 21)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCCN(C2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12)C(C)=O |r,w:13.12,19.20|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM518286
PNG
(US11111270, Compound 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM518286
PNG
(US11111270, Compound 24)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:14.19|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM391830
PNG
(US10300074, Compd 25 | US11111270, Compound 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391830
PNG
(US10300074, Compd 25 | US11111270, Compound 25)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)Nc1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H28N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14,18-20,24H,10-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,18-,19-,20-/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26 | US11111270, Compound 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26 | US11111270, Compound 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391831
PNG
(US10300074, Compd 26 | US11111270, Compound 26)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C25H36N4O4/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21+/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a | US11111270, Compound 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:13.13|
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391804
PNG
(US10300074, Product 17a | US11111270, Compound 27)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@@H]2N(C(C(=O)N[C@@H]3CCCc4ccccc34)c3ccccc23)C1=O |r,w:13.13|
Show InChI InChI=1S/C27H32N4O4/c1-16(28-2)24(32)30-22-14-15-35-27-20-12-6-5-11-19(20)23(31(27)26(22)34)25(33)29-21-13-7-9-17-8-3-4-10-18(17)21/h3-6,8,10-12,16,21-23,27-28H,7,9,13-15H2,1-2H3,(H,29,33)(H,30,32)/t16-,21+,22-,23?,27-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31 | US11...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391835
PNG
(US10300074, Compd 30 | US10300074, Compd 31 | US11...)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)[C@H]2CCC(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32 | US11111270, Compound 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r|
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391837
PNG
(US10300074, Compd 32 | US11111270, Compound 32)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCOc2ccccc12 |r|
Show InChI InChI=1S/C22H30N4O5/c1-13(23-2)20(27)25-16-10-12-31-19-8-7-17(26(19)22(16)29)21(28)24-15-9-11-30-18-6-4-3-5-14(15)18/h3-6,13,15-17,19,23H,7-12H2,1-2H3,(H,24,28)(H,25,27)/t13-,15+,16-,17-,19-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33 | US11111270, Compound 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391838
PNG
(US10300074, Compd 33 | US11111270, Compound 33)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O4/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34 | US11111270, Compound 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391839
PNG
(US10300074, Compd 34 | US11111270, Compound 34)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [163-230]/[26-93]


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c | US11111270, Compound 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c | US11111270, Compound 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
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TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391806
PNG
(US10300074, Product 17c | US11111270, Compound 35)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r,w:16.21|
Show InChI InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36 | US11111270, Compound 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 7


(Homo sapiens (Human))
BDBM391841
PNG
(US10300074, Compd 36 | US11111270, Compound 36)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC[C@@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O3S/c1-14(24-2)21(28)26-18-12-13-31-20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP [265-330]


(Homo sapiens (Human))
BDBM391842
PNG
(US10300074, Compd 37 | US11111270, Compound 37)
Show SMILES CN[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
Show InChI InChI=1S/C23H32N4O5S/c1-14(24-2)21(28)26-18-12-13-33(31,32)20-11-10-19(27(20)23(18)30)22(29)25-17-9-5-7-15-6-3-4-8-16(15)17/h3-4,6,8,14,17-20,24H,5,7,9-13H2,1-2H3,(H,25,29)(H,26,28)/t14-,17+,18-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<2.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
5000 PPC-1 cells were plated and grown overnight. Compounds were plated and 4 hrs later, TRAIL was added to half of the plate while RPMI was added to...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S185NQ
More data for this
Ligand-Target Pair
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