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Compile Data Set for Download or QSAR

Found 1 hit of kd data for polymerid = 5471   
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
Acetyl-CoA carboxylase


(Homo sapiens (Human))
BDBM50480668
PNG
(CHEMBL540678)
Show SMILES CO[C@@H]1[C@@H](O)[C@H](C)[C@H]2O[C@]1(O)[C@H](C)C(=O)O[C@@H](CCCC[C@H](OC)[C@H](OC(=O)CCC1=[N+]3C(C=C1)=Cc1c(C)cc(C)n1[B-]3(F)F)\C=C\[C@@H]2C)c1ccccc1
Show InChI InChI=1S/C42H55BF2N2O9/c1-25-17-21-36(54-37(48)22-20-31-18-19-32-24-33-26(2)23-27(3)46(33)43(44,45)47(31)32)35(52-6)16-12-11-15-34(30-13-9-8-10-14-30)55-41(50)29(5)42(51)40(53-7)38(49)28(4)39(25)56-42/h8-10,13-14,17-19,21,23-25,28-29,34-36,38-40,49,51H,11-12,15-16,20,22H2,1-7H3/b21-17+/t25-,28-,29+,34-,35-,36+,38-,39-,40+,42+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged acetyl-CoA-carboxylase biotin carboxylase domain


Bioorg Med Chem Lett 19: 2804-7 (2009)

More data for this
Ligand-Target Pair