BDBM50537568 CHEMBL4641913

SMILES: CC(C)C[C@H](NC[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O

InChI Key: InChIKey=TVXJRMOMLFXUFJ-MNVIUDHYSA-N

Data: 1 IC50

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 = 50537568   

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)	BDBM50537568 (CHEMBL4641913) Show SMILES CC(C)C[C@H](NC[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCC[C@H]1C(O)=O)C(N)=O |r| Show InChI InChI=1S/C27H46N4O7/c1-16(2)12-21(24(28)34)29-15-18(14-23(32)33)30-26(36)22(13-17-8-4-3-5-9-17)31-25(35)19-10-6-7-11-20(19)27(37)38/h16-22,29H,3-15H2,1-2H3,(H2,28,34)(H,30,36)(H,31,35)(H,32,33)(H,37,38)/t18-,19+,20+,21-,22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				Eur J Med Chem 164: 576-601 (2019) Article DOI: 10.1007/s00044-005-0131-1 BindingDB Entry DOI: 10.7270/Q2RR224D
					More data for this Ligand-Target Pair