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SMILES: CCCCNC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=QCZOVLATZXPSFR-UHFFFAOYSA-N

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 = 50511470   
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
Steroidogenic factor 1


(Homo sapiens (Human))
BDBM50511470
PNG
(CHEMBL4448429)
Show SMILES CCCCNC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
3.47E+4n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of 6N-FAM from SF1 LBD (218 to 461 residues) (unknown origin) expressed in Escherichia coli BL21 pLysS by competitive binding based fluo...


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511470
PNG
(CHEMBL4448429)
Show SMILES CCCCNC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
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n/an/an/a 6.29E+4n/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged human LRH1 LBD (294 to 541 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 5 group A member 2


(Homo sapiens (Human))
BDBM50511470
PNG
(CHEMBL4448429)
Show SMILES CCCCNC(=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C19H31NO2/c1-8-9-10-20-17(22)14-11-13(18(2,3)4)12-15(16(14)21)19(5,6)7/h11-12,21H,8-10H2,1-7H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
7.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of 6N-FAM from human LRH1 LBD (299 to 541 residues) expressed in Escherichia coli BL21 pLysS by competitive binding based fluorescence p...


ACS Med Chem Lett 11: 365-370 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00442
BindingDB Entry DOI: 10.7270/Q2K35Z0D
More data for this
Ligand-Target Pair