BDBM60671 BDBM183487::US9145354, 92

SMILES: CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F

InChI Key: InChIKey=CMZCLMBPMLFJJU-YVEFUNNKSA-N

Data: 2 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 2 hits for monomerid = 60671   

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))	BDBM60671 (BDBM183487 | US9145354, 92) Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r| Show InChI InChI=1S/C21H21ClFN3O2/c1-3-17(26-12(2)10-18(25)27)15-8-9-16(22)19(20(15)23)21(28)14-6-4-13(11-24)5-7-14/h4-9,12,17,26H,3,10H2,1-2H3,(H2,25,27)/t12-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	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))	BDBM60671 (BDBM183487 | US9145354, 92) Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r| Show InChI InChI=1S/C21H21ClFN3O2/c1-3-17(26-12(2)10-18(25)27)15-8-9-16(22)19(20(15)23)21(28)14-6-4-13(11-24)5-7-14/h4-9,12,17,26H,3,10H2,1-2H3,(H2,25,27)/t12-,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	340	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