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Compile Data Set for Download or QSAR

Found 2 hits of ic50 data for polymerid = 5078,5104   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50139128
PNG
(CHEMBL3758658)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1/C70H107N19O21S4/c1-34(2)23-40-58(97)80-42(26-53(73)92)60(99)82-44(27-54(74)93)68(107)87-20-8-12-50(87)65(104)77-39(11-6-7-19-71)57(96)79-41(25-37-15-17-38(91)18-16-37)59(98)86-49(70(109)110)33-114-113-32-48-64(103)83-45(29-90)61(100)81-43(24-35(3)4)67(106)89-22-10-14-52(89)69(108)88-21-9-13-51(88)66(105)85-47(62(101)75-36(5)56(95)78-40)31-112-111-30-46(63(102)84-48)76-55(94)28-72/h15-18,34-36,39-52,90-91H,6-14,19-33,71-72H2,1-5H3,(H2,73,92)(H2,74,93)(H,75,101)(H,76,94)(H,77,104)(H,78,95)(H,79,96)(H,80,97)(H,81,100)(H,82,99)(H,83,103)(H,84,102)(H,85,105)(H,86,98)(H,109,110)/t36-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 28n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Displacement [125I]alpha-bungarotoxin from untagged Aplysia californica AChBP expressed in Sf9 cells by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Aplysia Californica)
BDBM50139123
PNG
(CHEMBL3758260)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2
Show InChI InChI=1/C52H77N19O16S4/c1-24-40(76)65-30(15-25-18-60-27-8-3-2-7-26(25)27)43(79)63-28(9-4-12-58-51(54)55)42(78)70-36(50(86)87)23-91-90-22-35-47(83)67-32(19-72)44(80)66-31(16-39(74)75)49(85)71-14-6-11-37(71)48(84)64-29(10-5-13-59-52(56)57)41(77)68-34(45(81)61-24)21-89-88-20-33(46(82)69-35)62-38(73)17-53/h2-3,7-8,18,24,28-37,60,72H,4-6,9-17,19-23,53H2,1H3,(H,61,81)(H,62,73)(H,63,79)(H,64,84)(H,65,76)(H,66,80)(H,67,83)(H,68,77)(H,69,82)(H,70,78)(H,74,75)(H,86,87)(H4,54,55,58)(H4,56,57,59)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 33n/an/an/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Displacement [125I]alpha-bungarotoxin from untagged Aplysia californica AChBP expressed in Sf9 cells by competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair