Cheminformatic Tools and Databases for Pharmacology

session 6198 - Total of 1 hits - Display   hits per page:

Add another drug(s) by one keyword:
Exemple: “nib“ and click on the Search button (do not press Enter on the keyboard)

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
NILOTINIB

NILOTINIB


ATC L01XE08

ANTINEOPLASTIC
PROTEIN KINASE INHIBITORS
CHRONIC MYELOID LEUKEMIA (CML)
IC50 VALUES AS INDICATED: BCR-ABL (20-60 NM) PDGFR (69 NM) C-KIT (210 NM) CSF-1R (125-250 NM) AND DDR1 (3.7 NM)

ORAL

Tmax 3 HOUR

PPB 98 PERCENT

HT 17 HOUR

SOLUBILITY IN AQUEOUS SOLUTIONS DECREASES WITH INCREASING PH

BCR-ABL TYROSINE KINASE

PDB 3CS9 (HUMAN ABL KINASE IN COMPLEX WITH NILOTINIB)

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

Download experimental 3D coordinates of NIL with added hydrogens

TYROSINE-PROTEIN KINASE ABL INHIBITOR CHEMBL1862 TYROSINE-PROTEIN KINASE ABL P00519 TYROSINE-PROTEIN KINASE ABL1 HOMO SAPIENS ENZYME KINASE PROTEIN KINASE TK ABLANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



Copyright © 2019 Université Côte d'Azur CNRS - All rights reserved
  | Contact |