Cheminformatic Tools and Databases for Pharmacology

session 91607 - 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
ESTRONE DISCONTINUED (is an active metabolite)

ESTRONENATURAL MOLECULE (link)


ATC G03CA07
ATC G03CC04

GENITO
ANTI-MENOPAUSAL AGENTS
ESTROGENS
OSTEOPOROSIS PROPHYLACTIC

INJECTION

Cmax 1.03 NANOMOLAR

Tmax 4 HOUR

SOLUBILITY SOLUBLE IN WATER

ESTROGEN RECEPTOR

PDB 3HM1 (CRYSTAL STRUCTURE OF HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE AND ESTRONE ((8R,9S,13S,14S)-3-HYDROXY-13-METHYL-7,8,9,11,12,14,15,16-OCTAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-17-ONE))

LIGAND CODE = J3Z (link to the list of PDB complexes)

Download experimental 3D coordinates of J3Z with added hydrogens

Estrogen receptor UNIPROT P03372 ESR1

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
ESTROPIPATE (has an active metabolite)

ESTROPIPATE


ATC G03CA07
ATC G03CC04

GENITO
ESTROGENIC

ORAL VAGINAL

SOLUBILITY SOLUBLE IN WATER

ESTROGEN RECEPTOR

Estrogen receptor UNIPROT P03372 ESR1

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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