BDBM50514772 CHEMBL4533823

SMILES: [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C

InChI Key: InChIKey=OWCXSVCCEWDGAW-QSVRLPQESA-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 = 50514772   

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)	BDBM50514772 (CHEMBL4533823) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C45H54N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(3)54)51-45(58)60-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL 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
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)	BDBM50514772 (CHEMBL4533823) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C45H54N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(3)54)51-45(58)60-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	970	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)	BDBM50514772 (CHEMBL4533823) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C45H54N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(3)54)51-45(58)60-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.20	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