BDBM243436 US9427428, 17::US9427428, 21

SMILES: CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC

InChI Key: InChIKey=KZWHORJHVYNYJN-JMEMIYEWSA-N

Data: 13 EC50

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 13 hits for monomerid = 243436   

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
Serine protease NS3-NS5B (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00500	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS3-NS5B (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description The assay utilized the stably transfected cell line Huh-7 luc/neo (hereafter referred to as Huh-Luc). This cell line harbors an RNA encoding a bicist...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS3-NS5B (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS3-NS5B (Hepatitis C virus genotype 1a (isolate H) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0490	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS3-NS5B (Hepatitis C virus genotype 1a (isolate H) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	482	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (L28T) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0370	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (Y93C) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (L31F) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00500	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (L31M) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0250	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (L31V) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0370	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (Y93H) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0340	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (Y93H) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	275	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair
Serine protease NS5A (R30H) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM243436 (US9427428, 17 | US9427428, 21) Show SMILES CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2cc(ccc2c1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C43H50N8O7/c1-7-24(2)36(48-42(54)57-5)40(52)50-18-8-10-34(50)38-44-23-33(47-38)30-15-14-26-20-27(12-13-28(26)21-30)29-16-17-31-32(22-29)46-39(45-31)35-11-9-19-51(35)41(53)37(25(3)56-4)49-43(55)58-6/h12-17,20-25,34-37H,7-11,18-19H2,1-6H3,(H,48,54)(H,49,55)/b29-27-,33-30+/t24-,25+,34-,35-,36-,37-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	n/a
Janssen Sciences Ireland UC US Patent					Assay Description In a transient set-up, a Huh-7 lunet hepatoma cell line was transiently transfected with an autonomously replicating RNA encoding a bi-cistronic expr...				US Patent US9427428 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VPJ
					More data for this Ligand-Target Pair