BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50033984   
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
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354986
PNG
(CHEMBL1834889)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OC(CCO)CCO)c(C)c1 |r|
Show InChI InChI=1S/C30H46O5/c1-8-30(9-2,23-10-12-26(21(3)18-23)34-20-28(33)29(5,6)7)24-11-13-27(22(4)19-24)35-25(14-16-31)15-17-32/h10-13,18-19,25,28,31-33H,8-9,14-17,20H2,1-7H3/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 19.4n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354987
PNG
(CHEMBL1834890)
Show SMILES CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C29H44O5/c1-8-29(9-2,23-10-12-25(20(3)14-23)33-18-22(16-30)17-31)24-11-13-26(21(4)15-24)34-19-27(32)28(5,6)7/h10-15,22,27,30-32H,8-9,16-19H2,1-7H3/t27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.11n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354988
PNG
(CHEMBL1834891)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)[C@@H](O)CO)c(C)c1 |r|
Show InChI InChI=1S/C29H44O6/c1-8-29(9-2,21-10-12-24(19(3)14-21)34-18-27(33)28(5,6)7)22-11-13-25(20(4)15-22)35-26(17-31)23(32)16-30/h10-15,23,26-27,30-33H,8-9,16-18H2,1-7H3/t23-,26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.920n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50200182
PNG
((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Show SMILES C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Show InChI InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/an/a 0.0100n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354990
PNG
(CHEMBL1834893)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1 |r|
Show InChI InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.0600n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354991
PNG
(CHEMBL1834894)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)CCO)c(C)c1 |r|
Show InChI InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.29n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50329706
PNG
((2S)-3-{4-[1-ethyl-1-(4-{[(2R)-2-hydroxy-3,3-dimet...)
Show SMILES CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 0.0400n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50354989
PNG
(CHEMBL1834892)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)[C@H](O)CO)c(C)c1 |r|
Show InChI InChI=1S/C29H44O6/c1-8-29(9-2,21-10-12-24(19(3)14-21)34-18-27(33)28(5,6)7)22-11-13-25(20(4)15-22)35-26(17-31)23(32)16-30/h10-15,23,26-27,30-33H,8-9,16-18H2,1-7H3/t23-,26-,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.25n/an/an/an/a



National Institute of Health Sciences

Curated by ChEMBL


Assay Description
Activity at human VDR expressed in human HOS cells transfected with pGL3-hOc, pCDNA-hVDR and phRL-TK assessed as assessed as transcriptional activati...


Bioorg Med Chem Lett 21: 6104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.047
BindingDB Entry DOI: 10.7270/Q29C6XTD
More data for this
Ligand-Target Pair