BDBM50200182 (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol::(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol::1,25-DHCC::1alpha,25(OH)2D3::1alpha,25-dihydroxycholecalciferol::1alpha,25-dihydroxyvitamin D3::CALCITRIOL::CHEMBL846

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

InChI Key InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N

Data  12 KI  25 IC50  4 Kd  48 EC50

PDB links: 19 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50200182   

TargetVitamin D3 receptor(Homo sapiens (Human))
Rikkyo University

Curated by ChEMBL
LigandPNGBDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Affinity DataIC50:  0.350nMAssay Description:Displacement of [3H]-1,25(OH)2D3 from recombinant human VDR ligand binding domainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetVitamin D3 receptor(Homo sapiens (Human))
Rikkyo University

Curated by ChEMBL
LigandPNGBDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Affinity DataEC50:  0.120nMAssay Description:Agonist activity at VDR in human HEK293 cells assessed as transcriptional activity after 16 to 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetVitamin D3 receptor(Homo sapiens (Human))
Rikkyo University

Curated by ChEMBL
LigandPNGBDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Affinity DataEC50:  0.600nMAssay Description:Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with RXRalpha assessed as RXRalpha recruitment by two-hybrid assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetVitamin D3 receptor(Homo sapiens (Human))
Rikkyo University

Curated by ChEMBL
LigandPNGBDBM50200182((1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-...)
Affinity DataIC50:  0.100nMAssay Description:Agonist activity at VDR (unknown origin) expressed in HEK293 cells cotransfected with NCoR assessed as decrease in NCoR recruitment by two-hybrid ass...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank