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BDBM4847 cid_1567207

SMILES: CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl

InChI Key: InChIKey=BWJQJMRLXWKBMU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 4847   
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 1


(Homo sapiens (Human))
BDBM4847
PNG
(cid_1567207)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C22H20ClNO6/c1-22(2,3)30-21(27)24-12-20(26)29-18-11-17-15(9-16(18)23)14(10-19(25)28-17)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,24,27)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.52E+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/Q2794387
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM4847
PNG
(cid_1567207)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C22H20ClNO6/c1-22(2,3)30-21(27)24-12-20(26)29-18-11-17-15(9-16(18)23)14(10-19(25)28-17)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,24,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.15E+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)


Article DOI: 10.1016/j.bioorg.2016.08.009
BindingDB Entry DOI: 10.7270/Q2C24V0K
More data for this
Ligand-Target Pair