BDBM50096411 AcAsp-Glu-Dif-Ile-Cha-Cys::CHEMBL61390

SMILES: CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O

InChI Key: InChIKey=ZZXPMGNPISOZPV-IFWKXTFSSA-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 = 50096411   

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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50096411 (AcAsp-Glu-Dif-Ile-Cha-Cys | CHEMBL61390) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O Show InChI InChI=1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)				Bioorg Med Chem Lett 11: 203-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1XSK
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50096411 (AcAsp-Glu-Dif-Ile-Cha-Cys | CHEMBL61390) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(O)=O Show InChI InChI=1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length)				Bioorg Med Chem Lett 11: 203-6 (2001) BindingDB Entry DOI: 10.7270/Q26Q1XSK
					More data for this Ligand-Target Pair