BDBM92893 NS3 Protease Inhibitor, 4

SMILES: OC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)CCC(O)=O)C1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O

InChI Key: InChIKey=DTJOGXRESDUKGJ-UKDJSQQHSA-N

Data: 1 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 1 hit for monomerid = 92893   

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
NS3 protein (Hepatitis C virus)	BDBM92893 (NS3 Protease Inhibitor, 4) Show SMILES OC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)CCC(O)=O)C1CCCCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C29H46N4O10S/c34-22(12-14-24(37)38)33-25(18-9-5-2-6-10-18)28(41)30-19(11-13-23(35)36)26(39)31-20(15-17-7-3-1-4-8-17)27(40)32-21(16-44)29(42)43/h17-21,25,44H,1-16H2,(H,30,41)(H,31,39)(H,32,40)(H,33,34)(H,35,36)(H,37,38)(H,42,43)/t19-,20-,21-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS...				Biochemistry 48: 11592-602 (2009) Article DOI: 10.1021/bi9016928 BindingDB Entry DOI: 10.7270/Q2F47MR0
					More data for this Ligand-Target Pair