BDBM183506 US9145354, 125::US9145354, 126::US9145354, 127

SMILES: CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F

InChI Key: InChIKey=VSMFDIXNFAMVBW-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 = 183506   

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
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM183506 (US9145354, 125 | US9145354, 126 | US9145354, 127) Show SMILES CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F Show InChI InChI=1S/C21H24ClFN4O2/c1-2-15(27-16-5-3-4-13(16)21(25)29)12-7-8-14(22)18(19(12)23)20(28)11-6-9-17(24)26-10-11/h6-10,13,15-16,27H,2-5H2,1H3,(H2,24,26)(H2,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	25
ASTEX THERAPEUTICS LIMITED US Patent					Assay Description The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...				US Patent US9145354 (2015) BindingDB Entry DOI: 10.7270/Q2VH5MMZ
					More data for this Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM183506 (US9145354, 125 | US9145354, 126 | US9145354, 127) Show SMILES CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F Show InChI InChI=1S/C21H24ClFN4O2/c1-2-15(27-16-5-3-4-13(16)21(25)29)12-7-8-14(22)18(19(12)23)20(28)11-6-9-17(24)26-10-11/h6-10,13,15-16,27H,2-5H2,1H3,(H2,24,26)(H2,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	25
ASTEX THERAPEUTICS LIMITED US Patent					Assay Description The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...				US Patent US9145354 (2015) BindingDB Entry DOI: 10.7270/Q2VH5MMZ
					More data for this Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM183506 (US9145354, 125 | US9145354, 126 | US9145354, 127) Show SMILES CCC(NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F Show InChI InChI=1S/C21H24ClFN4O2/c1-2-15(27-16-5-3-4-13(16)21(25)29)12-7-8-14(22)18(19(12)23)20(28)11-6-9-17(24)26-10-11/h6-10,13,15-16,27H,2-5H2,1H3,(H2,24,26)(H2,25,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	25
ASTEX THERAPEUTICS LIMITED US Patent					Assay Description The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many ...				US Patent US9145354 (2015) BindingDB Entry DOI: 10.7270/Q2VH5MMZ
					More data for this Ligand-Target Pair