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Compile Data Set for Download or QSAR

Found 4 hits of kd for monomerid = 50200182   
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))
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
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n/an/an/a 0.0650n/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Binding affinity to VDR receptor


J Med Chem 44: 281-97 (2001)


BindingDB Entry DOI: 10.7270/Q2NP2541
More data for this
Ligand-Target Pair
Vitamin D3 receptor A


(Danio rerio)
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
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Article
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n/an/an/a 1.20E+3n/an/an/an/an/a



Institut de G£n£tique et de Biologie Mol£culaire et Cellulaire (IGBMC)

Curated by ChEMBL


Assay Description
Binding affinity to zebrafish VDR LBD assessed as Kd for fluorescein-labeled SRC1 NR2 peptide binding by micro-scale thermophoresis method


J Med Chem 63: 9457-9463 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00656
BindingDB Entry DOI: 10.7270/Q28919DP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vitamin D-binding protein


(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
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n/an/an/a 24n/an/an/an/an/a



Universidad de Oviedo

Curated by ChEMBL


Assay Description
Binding affinity to human vitamin D binding protein


J Med Chem 52: 6158-62 (2009)


Article DOI: 10.1021/jm900711d
BindingDB Entry DOI: 10.7270/Q2N87BRX
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Sus scrofa)
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
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n/an/an/a 0.0700n/an/an/an/an/a



Universidad de Oviedo

Curated by ChEMBL


Assay Description
Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa


J Med Chem 52: 6158-62 (2009)


Article DOI: 10.1021/jm900711d
BindingDB Entry DOI: 10.7270/Q2N87BRX
More data for this
Ligand-Target Pair