BDBM50514769 CHEMBL4548808

SMILES: [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(Cc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2C[C@]3([H])CCC[C@]3([H])N2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c1)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC

InChI Key: InChIKey=JEWVYGHKXGJVNG-HDIJGQEISA-N

Data: 2 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 2 hits for monomerid = 50514769   

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)	BDBM50514769 (CHEMBL4548808) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(Cc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2C[C@]3([H])CCC[C@]3([H])N2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c1)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H58N8O8/c1-24(60-3)40(52-46(58)62-5)44(56)54-36-11-7-9-28(36)20-38(54)42-48-22-34(50-42)26-13-15-32-30(17-26)19-31-18-27(14-16-33(31)32)35-23-49-43(51-35)39-21-29-10-8-12-37(29)55(39)45(57)41(25(2)61-4)53-47(59)63-6/h13-18,22-25,28-29,36-41H,7-12,19-21H2,1-6H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t24-,25-,28+,29+,36+,37+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	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)	BDBM50514769 (CHEMBL4548808) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(Cc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2C[C@]3([H])CCC[C@]3([H])N2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c1)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H58N8O8/c1-24(60-3)40(52-46(58)62-5)44(56)54-36-11-7-9-28(36)20-38(54)42-48-22-34(50-42)26-13-15-32-30(17-26)19-31-18-27(14-16-33(31)32)35-23-49-43(51-35)39-21-29-10-8-12-37(29)55(39)45(57)41(25(2)61-4)53-47(59)63-6/h13-18,22-25,28-29,36-41H,7-12,19-21H2,1-6H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t24-,25-,28+,29+,36+,37+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	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