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2 similar compounds to monomer 36717

Compile data set for download or QSAR
Wt: 384.6
BDBM50147583
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Wt: 384.6
BDBM50030475
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50147583,50030475   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50030475
PNG
(7-Dehydrocholesterol | CHEBI:28940 | CHOLECALCIFER...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
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KEGG

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DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/an/an/a 0.210n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50030475
PNG
(7-Dehydrocholesterol | CHEBI:28940 | CHOLECALCIFER...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 400n/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-el...


J Med Chem 58: 2958-66 (2015)


Article DOI: 10.1021/jm501873p
BindingDB Entry DOI: 10.7270/Q22F7Q4V
More data for this
Ligand-Target Pair
phosphatase Cdc25


(Homo sapiens (Human))
BDBM50147583
PNG
((S)-4-Methylene-3-{2-[(R)-7a-(R)-methyl-1-((R)-5-m...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26?,27-/m1/s1
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CHEMBL
PC cid
PC sid
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Patents


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Article
PubMed
n/an/a 890n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Cell division cycle 25A activity; Value ranges from 0.44 uM to 0.89 uM


Bioorg Med Chem Lett 14: 3291-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.100
BindingDB Entry DOI: 10.7270/Q23T9GNJ
More data for this
Ligand-Target Pair