BDBM50514782 CHEMBL4440257

SMILES: [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC

InChI Key: InChIKey=HAHFJTONUCFBGA-KDDSMZEWSA-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 = 50514782   

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)	BDBM50514782 (CHEMBL4440257) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H56F2N8O8/c1-23(62-3)39(54-45(60)64-5)43(58)56-35-11-7-9-27(35)19-37(56)41-50-21-33(52-41)25-13-15-29-30-16-14-26(18-32(30)47(48,49)31(29)17-25)34-22-51-42(53-34)38-20-28-10-8-12-36(28)57(38)44(59)40(24(2)63-4)55-46(61)65-6/h13-18,21-24,27-28,35-40H,7-12,19-20H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t23-,24-,27+,28+,35+,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	17	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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514782 (CHEMBL4440257) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3C(F)(F)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H56F2N8O8/c1-23(62-3)39(54-45(60)64-5)43(58)56-35-11-7-9-27(35)19-37(56)41-50-21-33(52-41)25-13-15-29-30-16-14-26(18-32(30)47(48,49)31(29)17-25)34-22-51-42(53-34)38-20-28-10-8-12-36(28)57(38)44(59)40(24(2)63-4)55-46(61)65-6/h13-18,21-24,27-28,35-40H,7-12,19-20H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t23-,24-,27+,28+,35+,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	29	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