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BDBM77929 MLS002174170::SMR001261337::cid_25102468

SMILES: [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1

InChI Key: InChIKey=GHYZYEWFTIVWLF-WVIBYCHQSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 77929   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.74E+4n/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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.74E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.74E+4n/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 (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM77929
PNG
(MLS002174170 | SMR001261337 | cid_25102468)
Show SMILES [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
Show InChI InChI=1S/C26H21ClN2O3/c1-26-22(15-7-3-2-4-8-15)19-14-32-21-10-6-5-9-17(21)23(19)29(26)24(30)18-13-16(27)11-12-20(18)28-25(26)31/h2-13,19,22-23H,14H2,1H3,(H,28,31)/t19-,22+,23+,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.74E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair