BDBM101312 US8524716, 19

SMILES: CN1C\C=C/CNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(OCc2cc(ccc2N2CCN(CC2)S(C)(=O)=O)N2CCCC2=O)cc1F

InChI Key: InChIKey=OHYHXYWJFRXNFR-SREVYHEPSA-N

Data: 1 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 1 hit for monomerid = 101312   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
RNA-directed RNA polymerase (NS5B) (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM101312 (US8524716, 19) Show SMILES CN1C\C=C/CNC(=O)Cn2c(c(C3CCCCC3)c3ccc(cc23)C(=O)NS1(=O)=O)-c1ccc(OCc2cc(ccc2N2CCN(CC2)S(C)(=O)=O)N2CCCC2=O)cc1F |c:3,(-11.97,-2.04,;-10.64,-1.27,;-9.3,-2.04,;-8.42,-3.82,;-7.08,-4.59,;-3.88,-4.59,;-2.79,-3.5,;-3.19,-2.01,;-4.68,-1.61,;-2.1,-.92,;-2.5,.57,;-1.6,1.81,;-2.5,3.06,;-2.1,4.55,;-.62,4.95,;-.22,6.43,;-1.31,7.52,;-2.79,7.12,;-3.19,5.64,;-3.97,2.58,;-5.3,3.35,;-6.63,2.58,;-6.63,1.04,;-5.3,.27,;-3.97,1.04,;-7.97,.27,;-7.97,-1.27,;-9.3,1.04,;-10.64,.27,;-11.97,1.04,;-10.64,1.81,;-.06,1.81,;.71,3.15,;2.25,3.15,;3.02,1.81,;4.56,1.81,;5.33,.48,;6.87,.48,;7.64,1.81,;9.18,1.81,;9.95,.48,;9.18,-.85,;7.64,-.85,;6.87,-2.19,;5.33,-2.19,;4.56,-3.52,;5.33,-4.85,;6.87,-4.85,;7.64,-3.52,;4.56,-6.19,;5.33,-7.52,;3.02,-6.19,;3.79,-4.85,;9.95,3.15,;11.49,3.15,;11.97,4.61,;10.72,5.52,;9.48,4.61,;8.14,5.38,;2.25,.48,;.71,.48,;-.06,-.85,)| Show InChI InChI=1S/C44H52FN7O8S2/c1-48-19-7-6-18-46-40(53)28-52-39-26-31(44(55)47-62(48,58)59)12-15-36(39)42(30-9-4-3-5-10-30)43(52)35-16-14-34(27-37(35)45)60-29-32-25-33(51-20-8-11-41(51)54)13-17-38(32)49-21-23-50(24-22-49)61(2,56)57/h6-7,12-17,25-27,30H,3-5,8-11,18-24,28-29H2,1-2H3,(H,46,53)(H,47,55)/b7-6-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	25
Janssen R&D Ireland US Patent					Assay Description Inhibition assay using HCV NS5B.				US Patent US8524716 (2013) BindingDB Entry DOI: 10.7270/Q22R3Q9P
					More data for this Ligand-Target Pair