BDBM38872 MLS000069706::SMR000058540::VINCRISTINE SULFATE::cid_5388992

SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC

InChI Key InChIKey=OGWKCGZFUXNPDA-CFWMRBGOSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 38872   

TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50:  2.37E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50:  2.11E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50:  4.67E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50: >6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 0 group B member 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50: >278nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNuclear receptor subfamily 0 group B member 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50:  386nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50: >6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM38872(MLS000069706 | SMR000058540 | VINCRISTINE SULFATE ...)
Affinity DataIC50:  3.56E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay