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BDBM97325 MLS002694357::SMR001560286::cid_44825514

SMILES: [H]C12CC([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(NCCCC)ccc21

InChI Key: InChIKey=RDJMQSPYRINBCE-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 = 97325   
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))
BDBM97325
PNG
(MLS002694357 | SMR001560286 | cid_44825514)
Show SMILES [H]C12CC([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(NCCCC)ccc21 |TLB:27:28:2:5.7.6,THB:19:18:2:5.7.6,8:5:2:28.18|
Show InChI InChI=1S/C23H28N2O2/c1-2-3-12-24-19-9-10-20-18-11-13-25(22(14-18)21(20)15-19)23(26)27-16-17-7-5-4-6-8-17/h4-10,15,18,22,24H,2-3,11-14,16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM97325
PNG
(MLS002694357 | SMR001560286 | cid_44825514)
Show SMILES [H]C12CC([H])(N(CC1)C(=O)OCc1ccccc1)c1cc(NCCCC)ccc21 |TLB:27:28:2:5.7.6,THB:19:18:2:5.7.6,8:5:2:28.18|
Show InChI InChI=1S/C23H28N2O2/c1-2-3-12-24-19-9-10-20-18-11-13-25(22(14-18)21(20)15-19)23(26)27-16-17-7-5-4-6-8-17/h4-10,15,18,22,24H,2-3,11-14,16H2,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair