BDBM50514774 CHEMBL4444885

SMILES: [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=SNEIYIUSBNKFDK-LNIIRVOPSA-N

Data: 3 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 3 hits for monomerid = 50514774   

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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.10	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176
					More data for this Ligand-Target Pair