BDBM50452518 CHEMBL4204453

SMILES: COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C

InChI Key: InChIKey=PMPJBRQKPSKWGJ-JLOFFHGFSA-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 = 50452518   

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)	BDBM50452518 (CHEMBL4204453) Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r| Show InChI InChI=1S/C41H56N4O9S/c1-9-28-21-41(28,36(48)44-55(50,51)30-15-16-30)43-34(46)31-22-40(53-8)23-45(31)35(47)33(38(2,3)4)42-37(49)54-24-39(5,6)17-11-10-12-26-18-27-19-29(40)14-13-25(27)20-32(26)52-7/h9,13-14,18-20,28,30-31,33H,1,10-12,15-17,21-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20	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
Genome polyprotein (Hepatitis C virus)	BDBM50452518 (CHEMBL4204453) Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r| Show InChI InChI=1S/C41H56N4O9S/c1-9-28-21-41(28,36(48)44-55(50,51)30-15-16-30)43-34(46)31-22-40(53-8)23-45(31)35(47)33(38(2,3)4)42-37(49)54-24-39(5,6)17-11-10-12-26-18-27-19-29(40)14-13-25(27)20-32(26)52-7/h9,13-14,18-20,28,30-31,33H,1,10-12,15-17,21-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80	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