Cheminformatic Tools and Databases for Pharmacology

session 22938 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
FLUTAMIDE (has an active metabolite)

FLUTAMIDE


ATC L02BB01

ANTINEOPLASTIC
ANTIANDROGENIC

ORAL

Cmax 282.6 NANOMOLAR

Tmax 1.3 HOUR

F 100 PERCENT

PPB 95 PERCENT

HT 7.8 HOUR

ANDROGEN RECEPTOR

Androgen receptor UNIPROT P10275 AR

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
M FLUTAMIDE (is an active metabolite)

FLUTAMIDE


ATC L02BB01

ANTINEOPLASTIC
ANTIANDROGENIC

-

Cmax 7.8 MICROMOLAR

Tmax 2 HOUR

PPB 93 PERCENT

HT 6 HOUR

ANDROGEN RECEPTOR

PDB 4OH6 (CRYSTAL STRUCTURE OF T877A-AR-LBD BOUND WITH CO-REGULATOR PEPTIDE)

LIGAND CODE = HFT (link to the list of PDB complexes)

Download experimental 3D coordinates of HFT with added hydrogens

Androgen receptor UNIPROT P10275 AR

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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