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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 401.3
BDBM50321216

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Homo sapiens (Human))
BDBM50321216
PNG
(CHEMBL1163581 | rac-3-(4-(Trifluoromethyl)phenylam...)
Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C23H19F4NO/c1-15-5-7-16(8-6-15)22(29)14-21(17-3-2-4-19(24)13-17)28-20-11-9-18(10-12-20)23(25,26)27/h2-13,21,28H,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50321216
PNG
(CHEMBL1163581 | rac-3-(4-(Trifluoromethyl)phenylam...)
Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C23H19F4NO/c1-15-5-7-16(8-6-15)22(29)14-21(17-3-2-4-19(24)13-17)28-20-11-9-18(10-12-20)23(25,26)27/h2-13,21,28H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting


Bioorg Med Chem 18: 4255-68 (2010)


Article DOI: 10.1016/j.bmc.2010.04.092
BindingDB Entry DOI: 10.7270/Q2QN67RQ
More data for this
Ligand-Target Pair