BDBM50453118 CHEMBL4204257

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=HCTJSELELLHDAA-JIJYKOJWSA-N

Data: 9 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 9 hits for monomerid = 50453118   

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))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	126	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)	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	78	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))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	13	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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	3	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))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	9	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))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	21	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
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	20	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))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	8	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
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/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	13	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