BDBM50452541 CHEMBL4217305

SMILES: COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC

InChI Key: InChIKey=IORZOWRFTNIBPS-ZQYMQFNFSA-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 = 50452541   

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
Genome polyprotein (Hepatitis C virus)	BDBM50452541 (CHEMBL4217305) Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r| Show InChI InChI=1S/C38H52N4O9S/c1-35(2,3)30(39-34(46)51-36(4,5)6)32(44)42-21-37(50-8,25-13-11-24-18-26(49-7)14-12-23(24)17-25)20-29(42)31(43)40-38(19-28(38)22-9-10-22)33(45)41-52(47,48)27-15-16-27/h11-14,17-18,22,27-30H,9-10,15-16,19-21H2,1-8H3,(H,39,46)(H,40,43)(H,41,45)/t28-,29-,30+,37-,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	253	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...				Bioorg Med Chem Lett 28: 43-48 (2018) Article DOI: 10.1016/j.bmcl.2017.11.005 BindingDB Entry DOI: 10.7270/Q2KP84RB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50452541 (CHEMBL4217305) Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r| Show InChI InChI=1S/C38H52N4O9S/c1-35(2,3)30(39-34(46)51-36(4,5)6)32(44)42-21-37(50-8,25-13-11-24-18-26(49-7)14-12-23(24)17-25)20-29(42)31(43)40-38(19-28(38)22-9-10-22)33(45)41-52(47,48)27-15-16-27/h11-14,17-18,22,27-30H,9-10,15-16,19-21H2,1-8H3,(H,39,46)(H,40,43)(H,41,45)/t28-,29-,30+,37-,38+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	244	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...				Bioorg Med Chem Lett 28: 43-48 (2018) Article DOI: 10.1016/j.bmcl.2017.11.005 BindingDB Entry DOI: 10.7270/Q2KP84RB
					More data for this Ligand-Target Pair