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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50011178   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50545472
PNG
(CHEMBL4642080)
Show SMILES CCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)ncc1NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C38H49N9O6S/c1-6-40-54(49,50)35-10-8-7-9-31(35)42-36-32(43-37(48)26-21-29(51-3)24-30(22-26)52-4)25-39-38(44-36)41-27-11-12-33(34(23-27)53-5)47-15-13-28(14-16-47)46-19-17-45(2)18-20-46/h7-12,21-25,28,40H,6,13-20H2,1-5H3,(H,43,48)(H2,39,41,42,44)
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human FGFR1 cytoplasmic domain (398-822 end amino acids residues) expressed in baculovirus expression system prei...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115453
BindingDB Entry DOI: 10.7270/Q20V8HCD
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50545460
PNG
(CHEMBL4641667)
Show SMILES CCNS(=O)(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(OC)c2)n1
Show InChI InChI=1S/C28H39N9O3S/c1-4-31-41(38,39)26-8-6-5-7-23(26)33-28-30-20-29-27(34-28)32-21-9-10-24(25(19-21)40-3)37-13-11-22(12-14-37)36-17-15-35(2)16-18-36/h5-10,19-20,22,31H,4,11-18H2,1-3H3,(H2,29,30,32,33,34)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human FGFR1 cytoplasmic domain (398-822 end amino acids residues) expressed in baculovirus expression system prei...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115453
BindingDB Entry DOI: 10.7270/Q20V8HCD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)