null

SMILES: COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=NREDIDBJPFQPKQ-KHVQSSSXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50453121   

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
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453121 (CHEMBL4215679) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.354	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)	BDBM50453121 (CHEMBL4215679) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0710	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
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453121 (CHEMBL4215679) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0130	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)	BDBM50453121 (CHEMBL4215679) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.98	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