BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1-acid glycoprotein 1'   
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
Alpha-1-acid glycoprotein 1


(Homo sapiens)
BDBM50111451
PNG
(2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbam...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1
Show InChI InChI=1S/C29H35N3O11/c1-15(16-7-3-2-4-8-16)31-28(40)18-10-6-5-9-17(18)27(39)30-14-21-25(37)26(38)24(36)20(43-21)13-22(33)32-19(29(41)42)11-12-23(34)35/h2-10,15,19-21,24-26,36-38H,11-14H2,1H3,(H,30,39)(H,31,40)(H,32,33)(H,34,35)(H,41,42)/t15-,19+,20?,21?,24?,25?,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay


J Med Chem 45: 1563-6 (2002)

More data for this
Ligand-Target Pair
Alpha-1-acid glycoprotein 1


(Homo sapiens)
BDBM50111453
PNG
((4R,5S)-2-{[(3S,4S,5S)-2-{[(2S,3S)-5-acetamido-6-h...)
Show SMILES C[C@@H]1O[C@@H](OC2C(NC(C)=O)C(O)O[C@@H](CO)[C@H]2OC2OC(CO)[C@H](O)[C@H](OC3(C[C@@H](O)[C@H](NC(=O)NC(=O)CC4OC(CO)C(O)C(O)C4O)C(O3)[C@H](O)[C@H](O)CO)C([O-])=O)[C@@H]2O)C(O)C(O)C1O
Show InChI InChI=1S/C38H63N3O29/c1-9-20(50)25(55)27(57)34(63-9)68-31-19(39-10(2)46)33(59)65-16(8-45)29(31)67-35-28(58)32(24(54)15(7-44)66-35)70-38(36(60)61)4-11(47)18(30(69-38)21(51)12(48)5-42)41-37(62)40-17(49)3-13-22(52)26(56)23(53)14(6-43)64-13/h9,11-16,18-35,42-45,47-48,50-59H,3-8H2,1-2H3,(H,39,46)(H,60,61)(H2,40,41,49,62)/p-1/t9-,11+,12+,13?,14?,15?,16-,18-,19?,20?,21+,22?,23?,24-,25?,26?,27?,28-,29+,30?,31?,32-,33?,34-,35?,38?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 8.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay


J Med Chem 45: 1563-6 (2002)

More data for this
Ligand-Target Pair