BDBM50458173 CHEMBL4217239

SMILES: CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O

InChI Key: InChIKey=RPZUMNMATJQMKI-SSEXGKCCSA-N

Data: 3 KI

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 = 50458173   

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)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease R155K mutant preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 add...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-3a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50458173 (CHEMBL4217239) Show SMILES CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1=O |r| Show InChI InChI=1S/C41H42ClF4N7O8S/c1-39(2,3)30(21-53-32(55)19-40(4,5)20-33(53)56)48-38(59)50-35-37(58)52(29(34(42)49-35)17-23-9-7-6-8-10-23)22-31(54)47-28-18-25(43)13-16-27(28)36(57)51-62(60,61)26-14-11-24(12-15-26)41(44,45)46/h6-16,18,30H,17,19-22H2,1-5H3,(H,47,54)(H,51,57)(H2,48,49,50,59)/t30-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of HCV genotype-1a full length NS3 protease preincubated for 10 mins followed by Ac-DED(Edans)EEAbuj-[COO]ASK(Dabcyl)-NH2 addition in pres...				Eur J Med Chem 148: 453-464 (2018) Article DOI: 10.1016/j.ejmech.2018.02.032 BindingDB Entry DOI: 10.7270/Q2BG2RMG
					More data for this Ligand-Target Pair