Cheminformatic Tools and Databases for Pharmacology

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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
RIBOCICLIB

RIBOCICLIB


ATC L01EF02

ANTINEOPLASTIC
TREATMENT OF POSTMENOPAUSAL WOMEN WITH HORMONE RECEPTOR (HR)-POSITIVE, HUMAN EPIDERMAL GROWTH FACTOR RECEPTOR 2 (HER2)-NEGATIVE ADVANCED OR METASTATIC BREAST CANCER
KINASE INHIBITOR
INHIBITOR OF CYCLIN-DEPENDENT KINASE (CDK) 4 AND 6

ORAL

Tmax 2.5 HOUR

VD 1090 LITER

PPB 70 PERCENT

Cl 25.5 LITER / HOUR

HT 32 HOUR

CDK-4
CDK-6

PDB 5L2T (THE X-RAY CO-CRYSTAL STRUCTURE OF HUMAN CDK6 AND RIBOCICLIB.)

LIGAND CODE = 6ZZ (link to the list of PDB complexes)

Download experimental 3D coordinates of 6ZZ with added hydrogens

Cyclin-dependent kinase 6 UNIPROT Q00534 CDK6 -- Cyclin-dependent kinase 4 UNIPROT P11802 CDK4

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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