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BDBM50542669 CHEMBL4646649

SMILES: COc1ccc(c(C)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O

InChI Key: InChIKey=RZOJDMDHEWPQFY-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50542669   
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
Fusion glycoprotein F0


(Human respiratory syncytial virus)		BDBM50542669
PNG
(CHEMBL4646649)
Show SMILES COc1ccc(c(C)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(57.69,-18.88,;56.66,-20.03,;57.13,-21.49,;58.64,-21.82,;59.11,-23.28,;58.08,-24.42,;56.58,-24.11,;55.55,-25.25,;56.1,-22.64,;58.56,-25.88,;60.02,-26.36,;61.35,-25.59,;62.68,-26.35,;62.69,-27.9,;61.35,-28.67,;60.02,-27.9,;58.55,-28.38,;58.07,-29.84,;56.57,-30.16,;55.42,-29.12,;54.09,-29.89,;52.63,-29.42,;51.49,-30.44,;50.03,-29.97,;51.81,-31.95,;53.27,-32.42,;54.41,-31.4,;55.94,-31.56,;56.71,-32.9,;58.25,-32.9,;59.02,-34.23,;60.56,-34.24,;62.1,-34.23,;57.65,-27.13,;56.11,-27.13,)|
Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-22(35-2)6-8-23(18)33-25-9-11-30-16-26(25)32(27(33)34)17-21-15-19-14-20(28)5-7-24(19)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...

J Med Chem 63: 8046-8058 (2020)

More data for this
Ligand-Target Pair