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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor (AR)' and Ligand = 'BDBM309991'   
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 (AR)


(Homo sapiens (Human))
BDBM309991
PNG
((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
31n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US9657003 (2017)

More data for this
Ligand-Target Pair
Androgen receptor (AR)


(Homo sapiens (Human))
BDBM309991
PNG
((S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H17ClN6O/c1-11(22-18(26)17-9-21-12(2)23-17)10-25-6-5-16(24-25)13-3-4-14(8-20)15(19)7-13/h3-7,9,11H,10H2,1-2H3,(H,21,23)(H,22,26)/t11-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...


US Patent US9657003 (2017)

More data for this
Ligand-Target Pair