BDBM50453114 CHEMBL4211348

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

InChI Key: InChIKey=CSEJJKLTDIYEFX-CTSHUCBISA-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 = 50453114   

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))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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 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))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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	230	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
RNA polymerase (NS5B) (Hepatitis C virus (HCV))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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	43	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))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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	12	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))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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	18	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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	276	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))	BDBM50453114 (CHEMBL4211348) 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(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/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	12	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