BDBM50458171 CHEMBL4208860

SMILES: CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)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=ULTNKFWTRDUFIT-WJOKGBTCSA-N

Data: 2 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 2 hits for monomerid = 50458171   

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)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)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/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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)	BDBM50458171 (CHEMBL4208860) Show SMILES CC(C)(C)[C@@H](CNS(=O)(=O)c1cccnc1)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/C39H37ClF4N8O8S2/c1-38(2,3)31(21-46-61(57,58)27-10-7-17-45-20-27)48-37(56)50-34-36(55)52(30(33(40)49-34)18-23-8-5-4-6-9-23)22-32(53)47-29-19-25(41)13-16-28(29)35(54)51-62(59,60)26-14-11-24(12-15-26)39(42,43)44/h4-17,19-20,31,46H,18,21-22H2,1-3H3,(H,47,53)(H,51,54)(H2,48,49,50,56)/t31-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	190	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