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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Asialoglycoprotein receptor 1' AND taxid = 10090   
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
Asialoglycoprotein receptor 1


(Mus musculus)
BDBM50074090
PNG
(CHEMBL2368210 | Galactoside analogue)
Show SMILES OC[C@@H]1O[C@@H](OCCCCC(=O)NCCCNC(=O)CCOCC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)NC(=O)CNC(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C65H110N8O30/c74-34-42-52(84)55(87)58(90)61(101-42)97-27-7-4-15-45(77)66-21-10-24-69-48(80)18-30-94-38-65(73-51(83)33-72-64(93)100-37-41-13-2-1-3-14-41,39-95-31-19-49(81)70-25-11-22-67-46(78)16-5-8-28-98-62-59(91)56(88)53(85)43(35-75)102-62)40-96-32-20-50(82)71-26-12-23-68-47(79)17-6-9-29-99-63-60(92)57(89)54(86)44(36-76)103-63/h1-3,13-14,42-44,52-63,74-76,84-92H,4-12,15-40H2,(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,71,82)(H,72,93)(H,73,83)/t42?,43?,44?,52-,53-,54-,55?,56?,57?,58?,59?,60?,61?,62?,63?,65?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
93n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity tested by in vitro competition assay of [125I]ASOR binding to parenchymal rat liver cells


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


(Mus musculus)
BDBM50074091
PNG
(CHEMBL2368208 | Galactoside analogue)
Show SMILES OC[C@@H]1O[C@@H](OCCCCC(=O)NCC(=O)NCCCC(=O)OCC(COC(=O)CCCNC(=O)CNC(=O)CCCCO[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)(COC(=O)CCCNC(=O)CNC(=O)CCCCO[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)NC(=O)CNC(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C65H104N8O33/c74-31-39-52(87)55(90)58(93)61(104-39)97-24-7-4-15-42(77)69-27-45(80)66-21-10-18-49(84)101-35-65(73-48(83)30-72-64(96)100-34-38-13-2-1-3-14-38,36-102-50(85)19-11-22-67-46(81)28-70-43(78)16-5-8-25-98-62-59(94)56(91)53(88)40(32-75)105-62)37-103-51(86)20-12-23-68-47(82)29-71-44(79)17-6-9-26-99-63-60(95)57(92)54(89)41(33-76)106-63/h1-3,13-14,39-41,52-63,74-76,87-95H,4-12,15-37H2,(H,66,80)(H,67,81)(H,68,82)(H,69,77)(H,70,78)(H,71,79)(H,72,96)(H,73,83)/t39?,40?,41?,52-,53-,54-,55?,56?,57?,58?,59?,60?,61?,62?,63?,65?/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
93n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity tested by in vitro competition assay of [125I]ASOR binding to parenchymal rat liver cells


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


(Mus musculus)
BDBM50074089
PNG
(CHEMBL2368207 | TG(20)C-Galactoside analogue)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CNC(=O)CCCCC(=O)NCC(=O)NC(COCOCCOCCOCCOCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)(COCOCCOCCOCCOCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COCOCCOCCOCCOCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C86H153N3O38/c1-57(2)9-8-10-58(3)62-15-16-63-61-14-13-59-45-60(17-19-84(59,4)64(61)18-20-85(62,63)5)124-71(96)47-88-69(94)12-7-6-11-68(93)87-46-70(95)89-86(51-118-54-115-36-33-109-24-21-106-27-30-112-39-42-121-81-78(103)75(100)72(97)65(48-90)125-81,52-119-55-116-37-34-110-25-22-107-28-31-113-40-43-122-82-79(104)76(101)73(98)66(49-91)126-82)53-120-56-117-38-35-111-26-23-108-29-32-114-41-44-123-83-80(105)77(102)74(99)67(50-92)127-83/h13,57-58,60-67,72-83,90-92,97-105H,6-12,14-56H2,1-5H3,(H,87,93)(H,88,94)(H,89,95)/t58?,60-,61?,62+,63?,64?,65?,66?,67?,72+,73+,74+,75?,76?,77?,78?,79?,80?,81?,82?,83?,84-,85+,86?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
200n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Affinity tested by in vitro competition assay of [125I]ASOR binding to parenchymal rat liver cells


Citation and Details
More data for this
Ligand-Target Pair