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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fusion glycoprotein F0' and Ligand = 'BDBM50541842'   
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
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541842
PNG
(CHEMBL4647328)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C27H37N7O2/c1-5-22-21-15-25-29-24(33-12-10-19(28)17-33)16-26(34(25)30-21)31(3)11-6-7-13-36-23-9-8-18(2)14-20(23)27(35)32(22)4/h8-9,14-16,19,22H,5-7,10-13,17,28H2,1-4H3/t19-,22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 440n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50541842
PNG
(CHEMBL4647328)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C27H37N7O2/c1-5-22-21-15-25-29-24(33-12-10-19(28)17-33)16-26(34(25)30-21)31(3)11-6-7-13-36-23-9-8-18(2)14-20(23)27(35)32(22)4/h8-9,14-16,19,22H,5-7,10-13,17,28H2,1-4H3/t19-,22-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.660n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect af...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair