BDBM50453103 CHEMBL4218872

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=LPKRLYGTMOYMQO-JIJYKOJWSA-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 = 50453103   

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
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 6a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair