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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-glucuronosyltransferase 1A1' and Ligand = 'BDBM50460861'   
Target/Host
(Institution)		LigandTarget/Host
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
UDP-glucuronosyltransferase 1A1


(Homo sapiens (Human))		BDBM50460861
PNG
(CHEMBL4229237)
Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(C)(C)O)-c1ccc(Cl)cn1)c1ccc([n+]([O-])c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21ClF3N3O3/c1-13(14-4-7-20(23(25,26)27)30(33)12-14)29-21(31)16-8-15(9-17(10-16)22(2,3)32)19-6-5-18(24)11-28-19/h4-13,32H,1-3H3,(H,29,31)/t13-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of UGT1A1 in human liver microsomes assessed as decrease in estradiol-3 glucuronidation

Bioorg Med Chem Lett 28: 1392-1396 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.039
BindingDB Entry DOI: 10.7270/Q25T3P36
More data for this
Ligand-Target Pair