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BDBM87337 4-[2-(2,2,6-trimethyl-8-oxidanylidene-3,4-dihydropyrano[3,2-g]chromen-7-yl)ethanoylamino]butanoic acid::4-[[1-oxo-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g][1]benzopyran-7-yl)ethyl]amino]butanoic acid::4-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butanoic acid::4-[[2-(8-keto-2,2,6-trimethyl-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]butyric acid::MLS001201785::SMR000544923::cid_8016512

SMILES: Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12

InChI Key: InChIKey=LJNRNRXEHFJCST-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 87337   
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
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87337
PNG
(4-[2-(2,2,6-trimethyl-8-oxidanylidene-3,4-dihydrop...)
Show SMILES Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12
Show InChI InChI=1S/C21H25NO6/c1-12-14-9-13-6-7-21(2,3)28-16(13)11-17(14)27-20(26)15(12)10-18(23)22-8-4-5-19(24)25/h9,11H,4-8,10H2,1-3H3,(H,22,23)(H,24,25)
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PC sid
UniChem

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PCBioAssay
n/an/a 7.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87337
PNG
(4-[2-(2,2,6-trimethyl-8-oxidanylidene-3,4-dihydrop...)
Show SMILES Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12
Show InChI InChI=1S/C21H25NO6/c1-12-14-9-13-6-7-21(2,3)28-16(13)11-17(14)27-20(26)15(12)10-18(23)22-8-4-5-19(24)25/h9,11H,4-8,10H2,1-3H3,(H,22,23)(H,24,25)
PDB
MMDB

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antibodypedia
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UniChem

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PCBioAssay
n/an/a 9.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87337
PNG
(4-[2-(2,2,6-trimethyl-8-oxidanylidene-3,4-dihydrop...)
Show SMILES Cc1c(CC(=O)NCCCC(O)=O)c(=O)oc2cc3OC(C)(C)CCc3cc12
Show InChI InChI=1S/C21H25NO6/c1-12-14-9-13-6-7-21(2,3)28-16(13)11-17(14)27-20(26)15(12)10-18(23)22-8-4-5-19(24)25/h9,11H,4-8,10H2,1-3H3,(H,22,23)(H,24,25)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.69E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair