BDBM50002662 (+)-calanolide A::(+)-calnolide A::(10R,11S,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;2',3'-h]chromen-2-one::12-Hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-6H,10H-dipyrano[2,3-f;2',3'-h]chromen-2-one(Calanolide A)::CHEMBL267447::cid_1201

SMILES CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12

InChI Key InChIKey=NIDRYBLTWYFCFV-FMTVUPSXSA-N

Data  7 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 50002662   

TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  1.32E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  2.03E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA polymerase beta(Homo sapiens (Human))
Chulalongkorn University

Curated by ChEMBL
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  2.05E+5nMAssay Description:Inhibition of DNA polymerase betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Medichem Research

Curated by ChEMBL
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  1.01E+4nMAssay Description:Inhibitory activity against TIBO-resistant HIV-1 RT Nucleic Acid polymeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
Medichem Research

Curated by ChEMBL
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataEC50:  320nMAssay Description:Inhibition of HIV-1 reverse transcriptase using a poly(rC):oligo(dG)12-18 template primerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Medichem Research

Curated by ChEMBL
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  380nMAssay Description:Inhibitory activity against DNA -dependent DNA polymerase(DDDP) of HIV-1 RT Nucleic Acid polymeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Medichem Research

Curated by ChEMBL
LigandPNGBDBM50002662((+)-calanolide A | (+)-calnolide A | (10R,11S,12S)...)
Affinity DataIC50:  380nMAssay Description:Inhibitory activity against DNA -dependent DNA polymerase(DDDP) of HIV-1 RT Nucleic Acid polymeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed