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BDBM245154 US9428460, 10

SMILES: Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12

InChI Key: InChIKey=FANXANPYCNOZRR-RUCARUNLSA-N

Data: 3 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 3 hits for monomerid = 245154   
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
Androgen receptor


(Homo sapiens (Human))
BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 194n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...


US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor (E709Y)


(Homo sapiens (Human))
BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 175n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...


US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair
Androgen receptor (W741C)


(Homo sapiens (Human))
BDBM245154
PNG
(US9428460, 10)
Show SMILES Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12
Show InChI InChI=1S/C23H23FN2O2/c24-18-5-3-4-17(14-18)23(27)26-15-16-8-10-19(11-9-16)28-22-12-13-25-21-7-2-1-6-20(21)22/h1-7,12-14,16,19H,8-11,15H2,(H,26,27)/t16-,19-
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 220n/an/an/an/an/a37



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
PC-3 cells (Kaighn et al., Invest. Urol. 17: 16-23, 1979) were plated out at a density of 10000 cells per well of a 96-well cell culture plate in RMP...


US Patent US9428460 (2016)


BindingDB Entry DOI: 10.7270/Q25719Z7
More data for this
Ligand-Target Pair