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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'TRAIL receptor-1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
TRAIL receptor-1


(Homo sapiens)
BDBM50287632
PNG
(CHEMBL1253325 | PKYVKQNTLKLAT (HA306-318 peptide))
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C69H118N18O19/c1-35(2)31-48(63(99)76-38(7)57(93)87-56(40(9)89)69(105)106)81-60(96)45(18-11-14-28-71)78-64(100)49(32-36(3)4)84-68(104)55(39(8)88)86-66(102)51(34-53(74)92)83-62(98)47(25-26-52(73)91)79-59(95)46(19-12-15-29-72)80-67(103)54(37(5)6)85-65(101)50(33-41-21-23-42(90)24-22-41)82-61(97)44(17-10-13-27-70)77-58(94)43-20-16-30-75-43/h21-24,35-40,43-51,54-56,75,88-90H,10-20,25-34,70-72H2,1-9H3,(H2,73,91)(H2,74,92)(H,76,99)(H,77,94)(H,78,100)(H,79,95)(H,80,103)(H,81,96)(H,82,97)(H,83,98)(H,84,104)(H,85,101)(H,86,102)(H,87,93)(H,105,106)/t38-,39+,40+,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-,55-,56-/m0/s1
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay.


Citation and Details
More data for this
Ligand-Target Pair
TRAIL receptor-1


(Homo sapiens)
BDBM50287645
PNG
(1-[(S)-2-(3-Cyclohexyl-propionylamino)-3-methyl-bu...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)CCC1CCCCC1)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C41H71N7O8/c1-7-8-17-29(40(55)47-23-14-19-32(47)38(53)46-35(27(6)49)39(54)44-30(36(42)51)24-25(2)3)43-37(52)31-18-12-13-22-48(31)41(56)34(26(4)5)45-33(50)21-20-28-15-10-9-11-16-28/h25-32,34-35,49H,7-24H2,1-6H3,(H2,42,51)(H,43,52)(H,44,54)(H,45,50)(H,46,53)/t27-,29+,30+,31+,32+,34+,35+/m1/s1
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Article
n/an/a 755n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay.


Citation and Details
More data for this
Ligand-Target Pair
TRAIL receptor-1


(Homo sapiens)
BDBM50287634
PNG
((S)-4-[(S)-2-((1S,2R)-1-Carbamoyl-2-hydroxy-propyl...)
Show SMILES CC(C)[C@H](NC(=O)C[C@H](C)C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C34H56N6O9/c1-19(2)28(37-26(42)17-20(3)22-11-6-5-7-12-22)34(49)40-15-9-8-13-24(40)31(46)36-23(18-27(43)44)33(48)39-16-10-14-25(39)32(47)38-29(21(4)41)30(35)45/h19-25,28-29,41H,5-18H2,1-4H3,(H2,35,45)(H,36,46)(H,37,42)(H,38,47)(H,43,44)/t20-,21+,23-,24-,25-,28-,29-/m0/s1
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UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for its ability to compete for binding to DR4 using ELISA assay.


Citation and Details
More data for this
Ligand-Target Pair