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SMILES: C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1

InChI Key: InChIKey=FGZVLGOUUPQOAB-SIFVSHMBSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50211740   
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
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211740
PNG
((1R)-phenyl-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1 |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/C21H30O/c1-20(2)12-7-13-21(3)16-11-10-15(17(16)20)18(21)19(22)14-8-5-4-6-9-14/h4-6,8-9,15-19,22H,7,10-13H2,1-3H3/t15-,16+,17-,18+,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18.4n/an/an/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
UDP-glucuronosyltransferase 2B17


(Homo sapiens (Human))
BDBM50211740
PNG
((1R)-phenyl-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1 |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/C21H30O/c1-20(2)12-7-13-21(3)16-11-10-15(17(16)20)18(21)19(22)14-8-5-4-6-9-14/h4-6,8-9,15-19,22H,7,10-13H2,1-3H3/t15-,16+,17-,18+,19-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.18E+4n/an/an/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT2B17 assessed as reduction of scopoletin 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
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211740
PNG
((1R)-phenyl-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1 |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/C21H30O/c1-20(2)12-7-13-21(3)16-11-10-15(17(16)20)18(21)19(22)14-8-5-4-6-9-14/h4-6,8-9,15-19,22H,7,10-13H2,1-3H3/t15-,16+,17-,18+,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of human UGT2B7 by substrate-independent inhibition assay


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
UDP-glucuronosyltransferase 2B7


(Homo sapiens (Human))
BDBM50211740
PNG
((1R)-phenyl-[(1R,2S,7S,8S,9S)-3,3,7-trimethyltricy...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@@H]13)[C@@H]2[C@@H](O)c1ccccc1 |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/C21H30O/c1-20(2)12-7-13-21(3)16-11-10-15(17(16)20)18(21)19(22)14-8-5-4-6-9-14/h4-6,8-9,15-19,22H,7,10-13H2,1-3H3/t15-,16+,17-,18+,19-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 54n/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