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BDBM50211762 (1S)-2-chloro-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undec-8-yl]ethanol::CHEMBL388191

SMILES: C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CCl

InChI Key: InChIKey=VSLAWTPHXJMTFI-OTJBPAGCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50211762   
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
Uridine-5'-diphosphoglucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211762
PNG
((1S)-2-chloro-1-[(1R,2S,7S,8S,9S)-3,3,7-trimethylt...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@H](O)CCl |TLB:2:1:10.11:8,0:1:10.11:8,THB:5:8:10.11:13.1,14:13:10.11:8|
Show InChI InChI=1S/C16H27ClO/c1-15(2)7-4-8-16(3)11-6-5-10(13(11)15)14(16)12(18)9-17/h10-14,18H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,16-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 assessed as reduction of estriol glucuronidation


J Med Chem 50: 2655-64 (2007)


Article DOI: 10.1021/jm061204e
BindingDB Entry DOI: 10.7270/Q23F4QF2
More data for this
Ligand-Target Pair