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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 = 'BDBM50541841'   
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))
BDBM50541841
PNG
(CHEMBL4646240)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C26H35N7O2/c1-5-21-20-14-24-28-23(32-11-9-18(27)16-32)15-25(33(24)29-20)30(3)10-6-12-35-22-8-7-17(2)13-19(22)26(34)31(21)4/h7-8,13-15,18,21H,5-6,9-12,16,27H2,1-4H3/t18-,21-/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>1.00E+3n/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)
BDBM50541841
PNG
(CHEMBL4646240)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C26H35N7O2/c1-5-21-20-14-24-28-23(32-11-9-18(27)16-32)15-25(33(24)29-20)30(3)10-6-12-35-22-8-7-17(2)13-19(22)26(34)31(21)4/h7-8,13-15,18,21H,5-6,9-12,16,27H2,1-4H3/t18-,21-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 17n/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