BDBM245917 US9433609, 1

SMILES: COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=SBJWKGYRHHJOKK-BDEFHBNZSA-N

Data: 8 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 8 hits for monomerid = 245917   

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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0580	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0580	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.12	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0760	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.775	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.06	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.33	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))	BDBM245917 (US9433609, 1) Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H46N8O6/c1-21(2)31(43-37(49)51-5)35(47)45-17-7-9-29(45)33-39-20-28(42-33)24-13-11-23(12-14-24)25-15-16-26-27(19-25)41-34(40-26)30-10-8-18-46(30)36(48)32(22(3)4)44-38(50)52-6/h11-16,19-22,29-32H,7-10,17-18H2,1-6H3,(H,43,49)(H,44,50)/b25-23-,28-24-/t29-,30-,31?,32-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.600	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