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BDBM50256886 CHEMBL4091425

SMILES: Cc1cnc(N2CC3(C2)CCOCC3)c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCc2cc(sc2-c2ccccc12)-c1nc2cccc(F)c2[nH]1

InChI Key: InChIKey=KOMSAQWLRABGKK-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50256886   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM50256886
PNG
(CHEMBL4091425)
Show SMILES Cc1cnc(N2CC3(C2)CCOCC3)c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCc2cc(sc2-c2ccccc12)-c1nc2cccc(F)c2[nH]1
Show InChI InChI=1S/C40H35FN6O3S/c1-24-19-29(37(42-21-24)46-22-40(23-46)14-17-50-18-15-40)38(48)43-27-11-9-25(10-12-27)39(49)47-16-13-26-20-33(51-35(26)28-5-2-3-8-32(28)47)36-44-31-7-4-6-30(41)34(31)45-36/h2-12,19-21H,13-18,22-23H2,1H3,(H,43,48)(H,44,45)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Ltd., BioCity, Nottingham NG1 1GF, United Kingdom. Electronic address: e.fordyce@sygnaturediscovery.com.

Curated by ChEMBL


Assay Description
Inhibition of Respiratory syncytial virus A2 M2-1 by luciferase reporter-based RSV minigenome assay


Bioorg Med Chem Lett 27: 2201-2206 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.053
BindingDB Entry DOI: 10.7270/Q29Z97BV
More data for this
Ligand-Target Pair
Phosphoprotein


(Human respiratory syncytial virus A (strain A2))
BDBM50256886
PNG
(CHEMBL4091425)
Show SMILES Cc1cnc(N2CC3(C2)CCOCC3)c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCc2cc(sc2-c2ccccc12)-c1nc2cccc(F)c2[nH]1
Show InChI InChI=1S/C40H35FN6O3S/c1-24-19-29(37(42-21-24)46-22-40(23-46)14-17-50-18-15-40)38(48)43-27-11-9-25(10-12-27)39(49)47-16-13-26-20-33(51-35(26)28-5-2-3-8-32(28)47)36-44-31-7-4-6-30(41)34(31)45-36/h2-12,19-21H,13-18,22-23H2,1H3,(H,43,48)(H,44,45)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Ltd., BioCity, Nottingham NG1 1GF, United Kingdom. Electronic address: e.fordyce@sygnaturediscovery.com.

Curated by ChEMBL


Assay Description
Inhibition of Respiratory syncytial virus A2 protein P by luciferase reporter-based RSV minigenome assay


Bioorg Med Chem Lett 27: 2201-2206 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.053
BindingDB Entry DOI: 10.7270/Q29Z97BV
More data for this
Ligand-Target Pair
Nucleoprotein


(Human respiratory syncytial virus A (strain A2))
BDBM50256886
PNG
(CHEMBL4091425)
Show SMILES Cc1cnc(N2CC3(C2)CCOCC3)c(c1)C(=O)Nc1ccc(cc1)C(=O)N1CCc2cc(sc2-c2ccccc12)-c1nc2cccc(F)c2[nH]1
Show InChI InChI=1S/C40H35FN6O3S/c1-24-19-29(37(42-21-24)46-22-40(23-46)14-17-50-18-15-40)38(48)43-27-11-9-25(10-12-27)39(49)47-16-13-26-20-33(51-35(26)28-5-2-3-8-32(28)47)36-44-31-7-4-6-30(41)34(31)45-36/h2-12,19-21H,13-18,22-23H2,1H3,(H,43,48)(H,44,45)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Sygnature Discovery Ltd., BioCity, Nottingham NG1 1GF, United Kingdom. Electronic address: e.fordyce@sygnaturediscovery.com.

Curated by ChEMBL


Assay Description
Inhibition of Respiratory syncytial virus A2 protein N by luciferase reporter-based RSV minigenome assay


Bioorg Med Chem Lett 27: 2201-2206 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.053
BindingDB Entry DOI: 10.7270/Q29Z97BV
More data for this
Ligand-Target Pair