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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046257   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
PDB

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MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin)


Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50102822
PNG
(CHEMBL3339360)
Show SMILES COc1cc2c(Oc3ccc(CC(=O)N\N=C\c4ccc(cc4)C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C33H32F4N4O4/c1-43-30-19-25-27(20-31(30)44-16-4-15-41-13-2-3-14-41)38-12-11-28(25)45-29-10-7-23(17-26(29)34)18-32(42)40-39-21-22-5-8-24(9-6-22)33(35,36)37/h5-12,17,19-21H,2-4,13-16,18H2,1H3,(H,40,42)/b39-21+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-KIT (unknown origin)


Eur J Med Chem 87: 508-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.095
BindingDB Entry DOI: 10.7270/Q24X59KD
More data for this
Ligand-Target Pair