Cheminformatic Tools and Databases for Pharmacology

session 94079 - 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
ETHINYL ESTRADIOL (is an active metabolite)

ETHINYL ESTRADIOL


ATC G03CA01

GENITO
ESTROGENS
CONTRACEPTIVES

ORAL TRANSDERMAL VAGINAL

Cmax 418.9 NANOMOLAR

Tmax 1.27 HOUR

VD 279.5 LITER (65 KILOGRAM)

PPB 97 PERCENT

Cl 27.3 LITER / HOUR (65 KILOGRAM)

HT 9.7 HOUR

ESTROGEN RECEPTOR

PDB 4X1G (CRYSTAL STRUCTURE OF THE HPXR-LBD IN COMPLEX WITH THE SYNTHETIC ESTROGEN 17ALPHA-ETHINYLESTRADIOL AND THE PESTICIDE TRANS-NONACHLOR)

LIGAND CODE = 3WF (link to the list of PDB complexes)

Download experimental 3D coordinates of 3WF with added hydrogens

ESTROGEN RECEPTOR ALPHA AGONIST CHEMBL206 ESTROGEN RECEPTOR ALPHA P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (in French)

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
QUINESTROL DISCONTINUED (has an active metabolite)

QUINESTROL


ATC G03CA01

GENITO
ESTROGENS

ORAL ESTROGEN RECEPTOR

ESTROGEN RECEPTOR AGONIST CHEMBL2093866 ESTROGEN RECEPTOR P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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