BDBM245921 US9433609, 11

SMILES: CO[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(C)C

InChI Key: InChIKey=NUJYJEUAUQASEY-SJNLCZQDSA-N

Data: 10 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 10 hits for monomerid = 245921   

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/RNA-directed RNA polymerase NS5B (NS3-NS5B) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.00600	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS3/RNA-directed RNA polymerase NS5B (NS3-NS5B) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0120	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS3/RNA-directed RNA polymerase NS5B (NS3-NS5B) (Hepatitis C virus genotype 1a (isolate H77) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0480	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (L28T) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.117	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (Y93C) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<0.0130	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (L31F) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0210	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (L31M) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0870	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (L31V) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.141	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (Y93H) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.167	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair
Serine protease NS5A (R30H) (Hepatitis C virus genotype 1b (isolate Con1) (HCV))	BDBM245921 (US9433609, 11) Show SMILES CO[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(C)C |r| Show InChI InChI=1S/C42H48N8O7/c1-23(2)35(47-41(53)56-5)39(51)50-18-8-10-34(50)38-44-30-16-15-28(21-31(30)45-38)26-11-12-27-20-29(14-13-25(27)19-26)32-22-43-37(46-32)33-9-7-17-49(33)40(52)36(24(3)55-4)48-42(54)57-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,53)(H,48,54)/b28-26+,32-29-/t24-,33-,34-,35-,36+/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0500	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 US9433609 (2016) BindingDB Entry DOI: 10.7270/Q2TQ60FD
					More data for this Ligand-Target Pair