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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 20 entry = 50010404   
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))
BDBM50538508
PNG
(CHEMBL4634073)
Show SMILES COC(=O)Nc1ccc(cc1)-c1c(OC2CCN(C)CC2)nc2c(cnn2c1N)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C28H32N6O5/c1-33-13-11-20(12-14-33)39-27-24(17-5-8-19(9-6-17)31-28(35)38-4)25(29)34-26(32-27)21(16-30-34)18-7-10-22(36-2)23(15-18)37-3/h5-10,15-16,20H,11-14,29H2,1-4H3,(H,31,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...


ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50538507
PNG
(CHEMBL4640601)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3ccccc3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H29N5O3/c1-30-13-11-19(12-14-30)34-26-23(17-7-5-4-6-8-17)24(27)31-25(29-26)20(16-28-31)18-9-10-21(32-2)22(15-18)33-3/h4-10,15-16,19H,11-14,27H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 910n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...


ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50538509
PNG
(CHEMBL4636995)
Show SMILES COc1ccc(cc1OC)-c1cnn2c(N)c(-c3nccs3)c(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H26N6O3S/c1-28-9-6-15(7-10-28)32-22-19(23-25-8-11-33-23)20(24)29-21(27-22)16(13-26-29)14-4-5-17(30-2)18(12-14)31-3/h4-5,8,11-13,15H,6-7,9-10,24H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of KIT (unknown origin) transfected in mouse Ba/F3 cells assessed as reduction in cell viability incubated for 48 hrs by brightglo-lucifer...


ACS Med Chem Lett 11: 558-565 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00015
BindingDB Entry DOI: 10.7270/Q29S1VJ7
More data for this
Ligand-Target Pair